SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing AO353_28090 FitnessBrowser__pseudo3_N2E3:AO353_28090 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

Q9JII6 Aldo-keto reductase family 1 member A1; Alcohol dehydrogenase [NADP(+)]; Aldehyde reductase; Glucuronate reductase; Glucuronolactone reductase; EC 1.1.1.2; EC 1.1.1.372; EC 1.1.1.54; EC 1.1.1.19; EC 1.1.1.20 from Mus musculus (Mouse)
42% identity, 83% coverage: 17:279/316 of query aligns to 7:276/325 of Q9JII6

query
sites
Q9JII6

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Sites not aligning to the query:

1 modified: Initiator methionine, Removed
2 modified: N-acetylthreonine

P51635 Aldo-keto reductase family 1 member A1; 3-DG-reducing enzyme; Alcohol dehydrogenase [NADP(+)]; Aldehyde reductase; Glucuronate reductase; Glucuronolactone reductase; EC 1.1.1.2; EC 1.1.1.372; EC 1.1.1.54; EC 1.1.1.19; EC 1.1.1.20 from Rattus norvegicus (Rat) (see paper)
42% identity, 83% coverage: 17:279/316 of query aligns to 7:276/325 of P51635

query
sites
P51635

L

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K13 (≠ A23) Not glycated
K23 (≠ F33) modified: carbohydrate, N-linked (Glc) (glycation) lysine
K30 (≠ T40) Not glycated
K34 (= K44) Not glycated
K61 (= K71) Not glycated
K68 (= K78) modified: carbohydrate, N-linked (Glc) (glycation) lysine
K80 (= K89) Not glycated
K85 (≠ N94) modified: carbohydrate, N-linked (Glc) (glycation) lysine
K97 (≠ A106) Not glycated
K127 (≠ R136) Not glycated
K134 (≠ I143) Not glycated
K141 (≠ I151) modified: carbohydrate, N-linked (Glc) (glycation) lysine
K145 (≠ R155) Not glycated
K153 (≠ E163) modified: carbohydrate, N-linked (Glc) (glycation) lysine
K157 (= K167) Not glycated
K240 (≠ R243) Not glycated
K257 (≠ G260) Not glycated
K263 (≠ T266) Not glycated

Sites not aligning to the query:

1 modified: Initiator methionine, Removed
2 modified: N-acetylthreonine
287 Not glycated
294 Not glycated
308 Not glycated

1xf0A Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (akr1c3) complexed with delta4-androstene-3,17-dione and NADP (see paper)
42% identity, 81% coverage: 24:279/316 of query aligns to 12:276/316 of 1xf0A

query
sites
1xf0A

M

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active site: D43 (= D55), Y48 (= Y60), K77 (= K89), H110 (= H122)
binding 4-androstene-3-17-dione: M113 (≠ F125), N160 (≠ D173), W220 (vs. gap)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G18 (= G30), Y20 (≠ L32), D43 (= D55), Y48 (= Y60), H110 (= H122), N160 (≠ D173), Q183 (= Q194), Y209 (≠ F220), S210 (≠ A221), L212 (= L223), S214 (≠ H225), Q215 (≠ G226), L229 (= L232), A246 (= A249), L261 (= L264), K263 (≠ T266), S264 (= S267), R269 (≠ H272), Q272 (≠ E275), N273 (= N276)

Sites not aligning to the query:

P14550 Aldo-keto reductase family 1 member A1; Alcohol dehydrogenase [NADP(+)]; Aldehyde reductase; Glucuronate reductase; Glucuronolactone reductase; EC 1.1.1.2; EC 1.1.1.372; EC 1.1.1.54; EC 1.1.1.19; EC 1.1.1.20 from Homo sapiens (Human) (see 3 papers)
42% identity, 83% coverage: 17:279/316 of query aligns to 7:276/325 of P14550

query
sites
P14550

L

L

V

L

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Y

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W

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Y50 (= Y60) active site, Proton donor; mutation to F: Complete loss of enzymatic activity.; mutation to H: Complete loss of enzymatic activity.
N52 (= N62) to S: reduced activity towards daunorubicin; dbSNP:rs2229540
E55 (≠ K65) to D: reduced activity towards daunorubicin; dbSNP:rs6690497
K80 (= K89) Lowers pKa of active site Tyr; mutation to M: Complete loss of enzymatic activity.
H113 (= H122) binding ; mutation to Q: Strong decrease in enzymatic activity.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed
299 I→A: No change in enzymatic activity.; I→C: No change in enzymatic activity.
300 V→C: No change in enzymatic activity.

3uzxB Crystal structure of 5beta-reductase (akr1d1) e120h mutant in complex with NADP+ and epiandrosterone (see paper)
41% identity, 91% coverage: 14:300/316 of query aligns to 8:307/325 of 3uzxB

query
sites
3uzxB

K

R

F

I

P

P

L

L

V

S

H

D

G

G

S

N

G

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A

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M

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P

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A

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G

G

F

L

G
|
G

T
|
T

L
x
Y

F

S

R

E

D

P

L

K

S

S

V

T

T

P

T

K

Q

G

A

A

-

C

-

A

-

T

-

S

I

V

K

K

H

V

A

A

L

I

E

D

T

T

G

G

F

Y

R

R

H

H

F

I

D
|
D

C

G

A

A

E

Y

R

I

Y
|
Y

R

Q

N

N

E

E

D

H

K

E

V

V

G

G

V

E

A

A

I

I

K

R

E

E

F

K

L

I

E

A

T

E

G

G

K

K

V

V

R

R

E

E

D

D

L

I

F

F

I

Y

T

C

T

G

K
|
K

L

L

W

W

N

A

T

T

N

N

H

H

R

V

P

P

E

E

R

M

V

V

L

R

P

P

A

T

F

L

E

E

A

R

S

T

C

L

R

R

R

V

L

L

Q

Q

V

L

D

D

Y

Y

I

V

D

D

C

L

Y

Y

L

I

I

I

H
|
H

T

V

P

P

F

M

A

A

F

F

Q

K

P

P

G

G

E

D

D

E

Q

I

E
x
Y

P

P

R

R

D

D

E

E

Q

N

G

G

R

K

I

W

I

L

Y

Y

D

H

S

K

G

S

V

-

T

N

L

L

I

C

E

A

T

T

W

W

R

E

A

A

L

M

E

E

R

A

L

C

V

K

D

D

E

A

G

G

R

L

C

V

K

K

S

S

I

L

G

G

L

V

S

S

D

N

I

F

T

N

L

R

Q

R

A

Q

L

L

Q

E

E

L

I

I

V

L

A

N

V

K

A

P

R

G

I

L

-

K

-

H

K

K

P

P

A

V

V

S

V

N

Q
|
Q

V

V

E

E

S

C

H

H

P

P

Y

Y

L

F

P

T

E

Q

W

P

E

K

L

L

E

K

F

F

C

C

R

Q

Q

Q

H

H

G

D

I

I

I

V

V

I

L

T

A

A

F
x
Y

A
x
S

P
|
P

L
|
L

G

G

H
x
T

G
x
S

M

R

Q

N

P

P

-

I

-
x
W

-

V

N

N

V

V

-

S

-

P

-

L

L
|
L

E

K

D

D

A

A

V

L

I

L

T

N

G

S

V

L

A

G

R

K

R

R

L

Y

Q

N

Q

K

T

T

P

A

A
|
A

Q

Q

V

I

A

V

L

L

A

R

W

F

S

N

V

I

Q

Q

R

R

G

G

V

V

A

V

F

V

L
x
I

T
x
P

T
x
K

S
|
S

A

F

T

N

L

L

S

E

H
x
R

I

I

Q

K

E
|
E

N
|
N

F

F

A

Q

I

I

-

F

-

D

S

F

T

S

L

L

P

T

H

E

R

E

A

E

M

M

L

K

E

D

I

I

K

-

D

E

D

A

I

L

T

N

T

K

R

N

V

V

R

R

F

F

active site: D52 (= D55), Y57 (= Y60), K86 (= K89), H119 (= H122)
binding (3Beta,5alpha)-3-Hydroxyandrostan-17-one: Y25 (≠ L32), Y57 (= Y60), H119 (= H122), Y131 (≠ E134), W229 (vs. gap)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G23 (= G30), T24 (= T31), Y25 (≠ L32), D52 (= D55), Y57 (= Y60), H119 (= H122), Q192 (= Q194), Y218 (≠ F220), S219 (≠ A221), P220 (= P222), L221 (= L223), T223 (≠ H225), S224 (≠ G226), L238 (= L232), A255 (= A249), I270 (≠ L264), P271 (≠ T265), K272 (≠ T266), S273 (= S267), R278 (≠ H272), E281 (= E275), N282 (= N276)

3uzxA Crystal structure of 5beta-reductase (akr1d1) e120h mutant in complex with NADP+ and epiandrosterone (see paper)
41% identity, 91% coverage: 14:300/316 of query aligns to 8:307/325 of 3uzxA

query
sites
3uzxA

K

R

F

I

P

P

L

L

V

S

H

D

G

G

S

N

G

-

A

S

M

I

P

P

A

I

V

I

G

G

F

L

G
|
G

T
|
T

L
x
Y

F

S

R

E

D

P

L

K

S

S

V

T

T

P

T

K

Q

G

A

A

-

C

-

A

-

T

-

S

I

V

K

K

H

V

A

A

L

I

E

D

T

T

G

G

F

Y

R

R

H

H

F

I

D
|
D

C

G

A

A

E

Y

R

I

Y
|
Y

R

Q

N

N

E

E

D

H

K

E

V

V

G

G

V

E

A

A

I

I

K

R

E

E

F

K

L

I

E

A

T

E

G

G

K

K

V

V

R

R

E

E

D

D

L

I

F

F

I

Y

T

C

T

G

K
|
K

L

L

W

W

N

A

T

T

N

N

H

H

R

V

P

P

E

E

R

M

V

V

L

R

P

P

A

T

F

L

E

E

A

R

S

T

C

L

R

R

R

V

L

L

Q

Q

V

L

D

D

Y

Y

I

V

D

D

C

L

Y

Y

L

I

I

I

H
|
H

T

V

P

P

F

M

A

A

F

F

Q

K

P

P

G

G

E

D

D

E

Q

I

E
x
Y

P

P

R

R

D

D

E

E

Q

N

G

G

R

K

I

W

I

L

Y

Y

D

H

S

K

G

S

V

-

T

N

L

L

I

C

E

A

T

T

W

W

R

E

A

A

L

M

E

E

R

A

L

C

V

K

D

D

E

A

G

G

R

L

C

V

K

K

S

S

I

L

G

G

L

V

S

S

D

N

I

F

T

N

L

R

Q

R

A

Q

L

L

Q

E

E

L

I

I

V

L

A

N

V

K

A

P

R

G

I

L

-

K

-

H

K

K

P

P

A

V

V

S

V

N

Q
|
Q

V

V

E

E

S

C

H

H

P

P

Y

Y

L

F

P

T

E

Q

W

P

E

K

L

L

E

K

F

F

C

C

R

Q

Q

Q

H

H

G

D

I

I

I

V

V

I

L

T

A

A

F
x
Y

A
x
S

P
|
P

L
|
L

G

G

H
x
T

G

S

M

R

Q

N

P

P

-

I

-
x
W

-

V

N

N

V

V

-

S

-

P

-

L

L

L

E

K

D

D

A

A

V

L

I

L

T

N

G

S

V

L

A

G

R

K

R

R

L

Y

Q

N

Q

K

T

T

P

A

A
|
A

Q

Q

V

I

A

V

L

L

A

R

W

F

S

N

V

I

Q

Q

R

R

G

G

V

V

A

V

F

V

L
x
I

T
x
P

T
x
K

S
|
S

A

F

T

N

L

L

S

E

H
x
R

I

I

Q

K

E
|
E

N
|
N

F

F

A

Q

I

I

-

F

-

D

S

F

T

S

L

L

P

T

H

E

R

E

A

E

M

M

L

K

E

D

I

I

K

-

D

E

D

A

I

L

T

N

T

K

R

N

V

V

R

R

F

F

active site: D52 (= D55), Y57 (= Y60), K86 (= K89), H119 (= H122)
binding 5-alpha-androstane-3-beta,17beta-diol: Y25 (≠ L32), Y57 (= Y60), H119 (= H122), Y131 (≠ E134), W229 (vs. gap)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G23 (= G30), T24 (= T31), Y25 (≠ L32), D52 (= D55), Y57 (= Y60), H119 (= H122), Q192 (= Q194), Y218 (≠ F220), S219 (≠ A221), P220 (= P222), L221 (= L223), T223 (≠ H225), A255 (= A249), I270 (≠ L264), P271 (≠ T265), K272 (≠ T266), S273 (= S267), R278 (≠ H272), E281 (= E275), N282 (= N276)

P80508 Prostaglandin-E(2) 9-reductase; 20-alpha-hydroxysteroid dehydrogenase; 20-alpha-HSD; EC 1.1.1.189; EC 1.1.1.149 from Oryctolagus cuniculus (Rabbit) (see paper)
41% identity, 91% coverage: 12:300/316 of query aligns to 2:305/323 of P80508

query
sites
P80508

D

D

T

P

K

K

F

F

P

Q

L

R

V

V

H

A

G

L

S

S

G

D

A

G

-

H

-

F

M

I

P

P

A

V

V

L

G

G

F

F

G

G

T
|
T

L
x
Y

F

A

R

P

D

E

-

E

-

V

-

P

L

K

S

S

V

K

T

A

T

M

Q

E

A

A

I

T

K

K

H

I

A

A

L

I

E

D

T

A

G

G

F

F

R

R

H

H

F

I

D
|
D

C

S

A

A

E

Y

R
x
F

Y

Y

R

K

N

N

E

E

D

K

K

E

V

V

G

G

V

L

A

A

I

I

K

R

E

S

F

K

L

I

E

A

T

D

G

G

K

T

V

V

R

K

R

R

E

E

D

D

L

I

F

F

I

Y

T

T

T

S

K

K

L

L

W

W

N

C

T

T

N

F

H

H

R

R

P

P

E

E

R

L

V

V

L

R

P

P

A

S

F

L

E

E

A

D

S

S

C

L

R

K

R

N

L

L

Q

Q

V

L

D

D

Y

Y

I

V

D

D

C

L

Y

Y

L

I

I

I

H

H

T

F

P

P

F

T

A

A

F

L

Q

K

P

P

G

G

E

V

D

E

Q

I

E

I

P

P

R

T

D

D

E

E

Q

H

G

G

R

K

I

A

I

I

Y

F

D

D

S

T

G

-

V

V

T

D

L

I

I

C

E

A

T

T

W

W

R

E

A

A

L

M

E

E

R

K

L

C

V

K

D

D

E

A

G

G

R

L

C

A

K

K

S

S

I

I

G

G

L

V

S
|
S

D
x
N

I

F

T

N

L

R

Q

R

A

Q

L

L

Q

E

E

M

I

I

V

L

A

N

V

K

A

P

-

G

-

L

R

K

I

Y

K

K

P

P

A

V

V

C

V

N

Q
|
Q

V

V

E

E

S

C

H

H

P

P

Y

Y

L

L

P

N

E

Q

W

G

E

K

L

L

E

E

F

F

C

C

R

K

Q

S

H

K

G

G

I

I

I

V

V

L

L

V

A

A

F
x
Y

A
x
S

P
x
A

L
|
L

G
|
G

H
x
S

G

H

M

R

Q

E

P

P

N

E

-

W

-

V

-

D

-

Q

-

S

-

A

-

P

-

V

V

L

L

L

E

E

D

D

A

P

V

L

I

I

T

G

G

A

V

L

A

A

R

K

L

H

Q

Q

T

T

P

P

A

A

Q

L

V

I

A

A

L

L

A

R

W

Y

S

Q

V

L

Q

Q

R

R

G

G

V

I

A

V

F

V

L

L

T

A

T
x
K

S
|
S

A
x
F

T
|
T

L
x
E

S
x
K

H
x
R

I
|
I

Q
x
K

E
|
E

N
|
N

F

I

A

Q

I

V

-

F

-

E

S

F

T

Q

L

L

P

P

H

S

R

E

A

D

M

M

L

-

E

K

I

V

K

I

D

D

D

S

I

L

T

N

T

R

R

N

V

F

R

R

F

Y

TY 23:24 (≠ TL 31:32) binding
D50 (= D55) binding
F54 (≠ R59) mutation to L: 49% reduction in 20alpha-HSD activity; little effect on 3-alpha-HSD.; mutation to V: 73% reduction in 20alpha-HSD activity; little effect on 3-alpha-HSD.
SN 166:167 (≠ SD 172:173) binding
Q190 (= Q194) binding
YSALGS 216:221 (≠ FAPLGH 220:225) binding
270:280 (vs. 266:276, 45% identical) binding

Sites not aligning to the query:

306 V→F: Greatly reduced 3alpha-HSD activity toward DHT; little effect on 20alpha-HSD activity.

1q5mA Binary complex of rabbit 20alpha-hydroxysteroid dehydrogenase with NADPH (see paper)
41% identity, 91% coverage: 12:300/316 of query aligns to 1:304/322 of 1q5mA

query
sites
1q5mA

D

D

T

P

K

K

F

F

P

Q

L

R

V

V

H

A

G

L

S

S

G

D

A

G

-

H

-

F

M

I

P

P

A

V

V

L

G

G

F

F

G
|
G

T
|
T

L
x
Y

F

A

R

P

D

E

-

E

-

V

-

P

L

K

S

S

V

K

T

A

T

M

Q

E

A

A

I

T

K

K

H

I

A

A

L

I

E

D

T

A

G

G

F

F

R

R

H

H

F

I

D
|
D

C

S

A

A

E

Y

R

F

Y
|
Y

R

K

N

N

E

E

D

K

K

E

V

V

G

G

V

L

A

A

I

I

K

R

E

S

F

K

L

I

E

A

T

D

G

G

K

T

V

V

R

K

R

R

E

E

D

D

L

I

F

F

I

Y

T

T

T

S

K
|
K

L

L

W

W

N

C

T

T

N

F

H

H

R

R

P

P

E

E

R

L

V

V

L

R

P

P

A

S

F

L

E

E

A

D

S

S

C

L

R

K

R

N

L

L

Q

Q

V

L

D

D

Y

Y

I

V

D

D

C

L

Y

Y

L

I

I

I

H
|
H

T

F

P

P

F

T

A

A

F

L

Q

K

P

P

G

G

E

V

D

E

Q

I

E

I

P

P

R

T

D

D

E

E

Q

H

G

G

R

K

I

A

I

I

Y

F

D

D

S

T

G

-

V

V

T

D

L

I

I

C

E

A

T

T

W

W

R

E

A

A

L

M

E

E

R

K

L

C

V

K

D

D

E

A

G

G

R

L

C

A

K

K

S

S

I

I

G

G

L

V

S

S

D

N

I

F

T

N

L

R

Q

R

A

Q

L

L

Q

E

E

M

I

I

V

L

A

N

V

K

A

P

-

G

-

L

R

K

I

Y

K

K

P

P

A

V

V

C

V

N

Q
|
Q

V

V

E

E

S

C

H

H

P

P

Y

Y

L

L

P

N

E

Q

W

G

E

K

L

L

E

E

F

F

C

C

R

K

Q

S

H

K

G

G

I

I

I

V

V

L

L

V

A

A

F
x
Y

A
x
S

P

A

L
|
L

G

G

H
x
S

G
x
H

M

R

Q

E

P

P

N

E

-

W

-

V

-

D

-

Q

-

S

-

A

-

P

-

V

V

L

L

L

E

E

D

D

A

P

V

L

I

I

T

G

G

A

V

L

A

A

R

K

L

H

Q

Q

T

T

P

P

A
|
A

Q

L

V

I

A

A

L

L

A

R

W

Y

S

Q

V

L

Q

Q

R

R

G

G

V

I

A

V

F

V

L
|
L

T

A

T
x
K

S
|
S

A
x
F

T
|
T

L

E

S

K

H
x
R

I

I

Q

K

E
|
E

N
|
N

F

I

A

Q

I

V

-

F

-

E

S

F

T

Q

L

L

P

P

H

S

R

E

A

D

M

M

L

-

E

K

I

V

K

I

D

D

D

S

I

L

T

N

T

R

R

N

V

F

R

R

F

Y

active site: D49 (= D55), Y54 (= Y60), K83 (= K89), H116 (= H122)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G21 (= G30), T22 (= T31), Y23 (≠ L32), D49 (= D55), Y54 (= Y60), H116 (= H122), Q189 (= Q194), Y215 (≠ F220), S216 (≠ A221), L218 (= L223), S220 (≠ H225), H221 (≠ G226), A252 (= A249), L267 (= L264), K269 (≠ T266), S270 (= S267), F271 (≠ A268), T272 (= T269), R275 (≠ H272), E278 (= E275), N279 (= N276)

1q13A Crystal structure of rabbit 20alpha hyroxysteroid dehydrogenase in ternary complex with NADP and testosterone (see paper)
41% identity, 91% coverage: 12:300/316 of query aligns to 1:304/322 of 1q13A

query
sites
1q13A

D

D

T

P

K

K

F

F

P

Q

L

R

V

V

H

A

G

L

S

S

G

D

A

G

-

H

-

F

M

I

P

P

A

V

V

L

G

G

F

F

G
|
G

T
|
T

L
x
Y

F

A

R

P

D

E

-

E

-

V

-

P

L

K

S

S

V

K

T

A

T

M

Q

E

A

A

I

T

K

K

H

I

A

A

L

I

E

D

T

A

G

G

F

F

R

R

H

H

F

I

D
|
D

C

S

A

A

E

Y

R
x
F

Y
|
Y

R

K

N

N

E

E

D

K

K

E

V

V

G

G

V

L

A

A

I

I

K

R

E

S

F

K

L

I

E

A

T

D

G

G

K

T

V

V

R

K

R

R

E

E

D

D

L

I

F

F

I

Y

T

T

T

S

K
|
K

L

L

W

W

N

C

T

T

N

F

H

H

R

R

P

P

E

E

R

L

V

V

L

R

P

P

A

S

F

L

E

E

A

D

S

S

C

L

R

K

R

N

L

L

Q

Q

V

L

D

D

Y

Y

I

V

D

D

C

L

Y

Y

L

I

I

I

H
|
H

T

F

P

P

F

T

A

A

F

L

Q

K

P

P

G

G

E

V

D

E

Q

I

E

I

P

P

R

T

D

D

E

E

Q

H

G

G

R

K

I

A

I

I

Y

F

D

D

S

T

G

-

V

V

T

D

L

I

I

C

E

A

T

T

W

W

R

E

A

A

L

M

E

E

R

K

L

C

V

K

D

D

E

A

G

G

R

L

C

A

K

K

S

S

I

I

G

G

L

V

S

S

D

N

I

F

T

N

L

R

Q

R

A

Q

L

L

Q

E

E

M

I

I

V

L

A

N

V

K

A

P

-

G

-

L

R

K

I

Y

K

K

P

P

A

V

V

C

V

N

Q
|
Q

V

V

E

E

S

C

H

H

P

P

Y

Y

L

L

P

N

E

Q

W

G

E

K

L

L

E

E

F

F

C

C

R

K

Q

S

H

K

G

G

I

I

I

V

V

L

L

V

A

A

F
x
Y

A
x
S

P

A

L
|
L

G

G

H
x
S

G
x
H

M

R

Q

E

P
|
P

N

E

-

W

-

V

-

D

-

Q

-

S

-

A

-

P

-

V

V

L

L
|
L

E

E

D

D

A

P

V

L

I

I

T

G

G

A

V

L

A

A

R

K

L

H

Q

Q

T

T

P

P

A
|
A

Q

L

V

I

A

A

L

L

A

R

W

Y

S

Q

V

L

Q

Q

R

R

G

G

V

I

A

V

F

V

L
|
L

T

A

T
x
K

S
|
S

A

F

T
|
T

L

E

S

K

H
x
R

I

I

Q

K

E
|
E

N
|
N

F

I

A

Q

I

V

-

F

-

E

S

F

T

Q

L

L

P

P

H

S

R

E

A

D

M

M

L

-

E

K

I

V

K

I

D

D

D

S

I

L

T

N

T

R

R

N

V

F

R

R

F

Y

active site: D49 (= D55), Y54 (= Y60), K83 (= K89), H116 (= H122)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G21 (= G30), T22 (= T31), Y23 (≠ L32), D49 (= D55), Y54 (= Y60), H116 (= H122), Q189 (= Q194), Y215 (≠ F220), S216 (≠ A221), L218 (= L223), S220 (≠ H225), H221 (≠ G226), L235 (= L232), A252 (= A249), L267 (= L264), K269 (≠ T266), S270 (= S267), T272 (= T269), R275 (≠ H272), E278 (= E275), N279 (= N276)
binding testosterone: Y23 (≠ L32), F53 (≠ R59), Y54 (= Y60), H116 (= H122), P224 (= P229)

3h4gA Structure of aldehyde reductase holoenzyme in complex with potent aldose reductase inhibitor fidarestat: implications for inhibitor binding and selectivity (see paper)
39% identity, 93% coverage: 17:309/316 of query aligns to 7:307/320 of 3h4gA

query
sites
3h4gA

L

L

V

L

H

H

G

T

S

G

G

Q

A

K

M

M

P

P

A

L

V

I

G

G

F

L

G
|
G

T
|
T

L
x
W

F

K

R

S

D

E

L

P

S

G

V

Q

T

V

T

K

Q

A

A

A

I

I

K

K

H

Y

A

A

L

L

E

T

T

V

G

G

F

Y

R

R

H

H

F

I

D
|
D

C

C

A

A

E

A

R

I

Y
|
Y

R

G

N

N

E

E

D

L

K

E

V

I

G

G

V

E

A

A

I

L

K

Q

E

E

F

T

L

V

E

G

T

P

G

G

K

K

-

A

V

V

R

P

R

R

E

E

D

E

L

L

F

F

I

V

T

T

T

S

K
|
K

L

L

W

W

N

N

T

T

N

K

H

H

R

H

P

P

E

E

R

D

V

V

L

E

P

P

A

A

F

L

E

R

A

K

S

T

C

L

R

A

R

D

L

L

Q

Q

V

L

D

E

Y

Y

I

L

D

D

C

L

Y

Y

L

L

I

M

H
|
H

T
x
W

P

P

F

Y

A

A

F

F

Q

E

P

R

G

G

E

D

D

N

Q

P

E

F

P

P

R

K

D

N

E

A

Q

D

G

G

R

T

I

I

I

R

Y

Y

D

D

S

A

G

-

V

T

T

H

L

Y

I

K

E

D

T

T

W

W

R

K

A

A

L

L

E

E

R

A

L

L

V

V

D

A

E

K

G

G

R

L

C

V

K

R

S

A

I

L

G

G

L

L

S
|
S

D
x
N

I

F

T

S

L

S

Q

R

A

Q

L

I

Q

D

E

D

I

V

V

L

A

S

V

V

A

A

R

S

I

V

K

R

P

P

A

A

V

V

V

L

Q
|
Q

V

V

E

E

S

C

H

H

P

P

Y

Y

L

L

P

A

E

Q

W

N

E

E

L

L

L

I

E

A

F

H

C

C

R

Q

Q

A

H

R

G

G

I

L

I

E

V

V

L

T

A

A

F
x
Y

A
x
S

P
|
P

L
|
L

G

G

H
x
S

G

S

-
x
D

-

R

-

A

-
x
W

-

R

-

D

-

P

M

N

Q

E

P

P

N

V

V

L

L

L

E

E

D

E

A

P

V

V

I

V

T

Q

G

A

V

L

A

A

R

E

R

K

L

Y

Q

N

Q

R

T

S

P

P

A
|
A

Q

Q

V

I

A

L

L

L

A

R

W

W

S

Q

V

V

Q

Q

R

R

G

K

V

V

A

I

F

C

L
x
I

T
x
P

T
x
K

S
|
S

A
x
V

T
|
T

L

P

S

S

H
x
R

I

I

Q

L

E
x
Q

N
|
N

F

I

A

Q

I

V

-

F

-

D

S

F

T

T

L

F

P

S

H

P

R

E

A

E

M

M

L

K

E

Q

I

L

K

-

D

D

D

A

I

L

T

N

T

K

R

N

V

L

R

R

F

F

N
x
I

S
x
V

V
x
P

V

M

E

L

T

T

G

R

V

V

P

P

active site: D45 (= D55), Y50 (= Y60), K80 (= K89), H113 (= H122)
binding (2s,4s)-2-aminoformyl-6-fluoro-spiro[chroman-4,4'-imidazolidine]-2',5'-dione: W22 (≠ L32), Y50 (= Y60), H113 (= H122), W114 (≠ T123), W220 (vs. gap), I299 (≠ N301), V300 (≠ S302), P301 (≠ V303)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G20 (= G30), T21 (= T31), W22 (≠ L32), D45 (= D55), Y50 (= Y60), H113 (= H122), S162 (= S172), N163 (≠ D173), Q184 (= Q194), Y210 (≠ F220), S211 (≠ A221), P212 (= P222), L213 (= L223), S215 (≠ H225), D217 (vs. gap), A246 (= A249), I261 (≠ L264), P262 (≠ T265), K263 (≠ T266), S264 (= S267), V265 (≠ A268), T266 (= T269), R269 (≠ H272), Q272 (≠ E275), N273 (= N276)

4xo6B Crystal structure of human 3-alpha hydroxysteroid dehydrogenase type 3 in complex with NADP+, 5alpha-androstan-3,17-dione and (3beta, 5alpha)-3-hydroxyandrostan-17-one (see paper)
38% identity, 95% coverage: 12:311/316 of query aligns to 4:319/325 of 4xo6B

query
sites
4xo6B

D

D

T

S

K

K

F

Y

P

Q

L

C

V

V

H

K

G

L

S

N

G

D

A

G

-

H

-

F

M

M

P

P

A

V

V

L

G

G

F

F

G
|
G

T
|
T

L
x
Y

F

A

R

P

-

A

-

E

-

V

D

P

L

K

S

S

V

K

T

A

T

L

Q

E

A

A

I

V

K

K

H

L

A

A

L

I

E

E

T

A

G

G

F

F

R

H

H

H

F

I

D
|
D

C

S

A

A

E

H

R
x
V

Y
|
Y

R

N

N

N

E

E

D

E

K

Q

V

V

G

G

V

L

A

A

I

I

K

R

E

S

F

K

L

I

E

A

T

D

G

G

K

S

V

V

R

K

R

R

E

E

D

D

L

I

F

F

I

Y

T

T

T

S

K
|
K

L

L

W

W

N

S

T

N

N

S

H

H

R

R

P

P

E

E

R

L

V

V

L

R

P

P

A

A

F

L

E

E

A

R

S

S

C

L

R

K

R

N

L

L

Q

Q

V

L

D

D

Y

Y

I

V

D

D

C

L

Y

Y

L

L

I

I

H
|
H

T

F

P

P

F

V

A

S

F

V

Q

K

P

P

G

G

E

E

D

E

Q

V

E
x
I

P

P

R

K

D

D

E

E

Q

N

G

G

R

K

I

I

I

L

Y

F

D

D

S

T

G

-

V

V

T

D

L

L

I

C

E

A

T

T

W

W

R

E

A

A

L

M

E

E

R

K

L

C

V

K

D

D

E

A

G

G

R

L

C

A

K

K

S

S

I

I

G

G

L

V

S

S

D

N

I

F

T

N

L

H

Q

R

A

L

L

L

Q

E

E

M

I

I

V

L

A

N

V

K

A

P

-

G

-

L

R

K

I

Y

K

K

P

P

A

V

V

C

V

N

Q
|
Q

V

V

E

E

S

C

H

H

P

P

Y

Y

L

F

P

N

E

Q

W

R

E

K

L

L

E

D

F

F

C

C

R

K

Q

S

H

K

G

D

I

I

I

V

V

L

L

V

A

A

F
x
Y

A
x
S

P

A

L
|
L

G

G

H
x
S

G
x
H

M

R

Q

E

-

E

-

P

-

W

-

V

-

D

-

P

-

N

-

S

P

P

N

V

V

L

L

L

E

E

D

D

A

P

V

V

I

L

T

C

G

A

V

L

A

A

R

K

L

H

Q

K

Q

R

T

T

P

P

A
|
A

Q

L

V

I

A

A

L

L

A

R

W

Y

S

Q

V

L

Q

Q

R

R

G

G

V

V

A

V

F

V

L
|
L

T

A

T
x
K

S
|
S

A

Y

T

N

L

E

S

Q

H
x
R

I

I

Q

R

E
x
Q

N
|
N

-

V

-

Q

-

V

-

F

-

E

F

F

A

Q

I

L

S

T

T

S

L

E

P

E

H

M

R

K

A

A

M

I

L

-

E

-

I

-

K

-

D

D

D

G

I

L

T

N

T

R

R

N

V

V

R

R

F

Y

N

L

S

T

V

L

-

D

V

I

E

F

T

A

G

G

V

P

P

P

G

N

F

Y

active site: D52 (= D55), Y57 (= Y60), K86 (= K89), H119 (= H122)
binding (3Beta,5alpha)-3-Hydroxyandrostan-17-one: Y26 (≠ L32), V56 (≠ R59), I131 (≠ E134), H224 (≠ G226)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G24 (= G30), T25 (= T31), Y26 (≠ L32), D52 (= D55), Y57 (= Y60), H119 (= H122), Q192 (= Q194), Y218 (≠ F220), S219 (≠ A221), L221 (= L223), S223 (≠ H225), H224 (≠ G226), A255 (= A249), L270 (= L264), K272 (≠ T266), S273 (= S267), R278 (≠ H272), Q281 (≠ E275), N282 (= N276)

4xo6A Crystal structure of human 3-alpha hydroxysteroid dehydrogenase type 3 in complex with NADP+, 5alpha-androstan-3,17-dione and (3beta, 5alpha)-3-hydroxyandrostan-17-one (see paper)
38% identity, 95% coverage: 12:311/316 of query aligns to 4:319/325 of 4xo6A

query
sites
4xo6A

D

D

T

S

K

K

F

Y

P

Q

L

C

V

V

H

K

G

L

S

N

G

D

A

G

-

H

-

F

M

M

P

P

A

V

V

L

G

G

F

F

G
|
G

T
|
T

L
x
Y

F

A

R

P

-

A

-

E

-

V

D

P

L

K

S

S

V

K

T

A

T

L

Q

E

A

A

I

V

K

K

H

L

A

A

L

I

E

E

T

A

G

G

F

F

R

H

H

H

F

I

D
|
D

C

S

A

A

E

H

R

V

Y
|
Y

R

N

N

N

E

E

D

E

K

Q

V

V

G

G

V

L

A

A

I

I

K

R

E

S

F

K

L

I

E

A

T

D

G

G

K

S

V

V

R

K

R

R

E

E

D

D

L

I

F

F

I

Y

T

T

T

S

K
|
K

L

L

W
|
W

N

S

T

N

N

S

H

H

R

R

P

P

E

E

R

L

V

V

L

R

P

P

A

A

F

L

E

E

A

R

S

S

C

L

R

K

R

N

L

L

Q

Q

V

L

D

D

Y

Y

I

V

D

D

C

L

Y

Y

L

L

I

I

H
|
H

T

F

P

P

F

V

A

S

F

V

Q

K

P

P

G

G

E

E

D

E

Q

V

E
x
I

P

P

R

K

D

D

E

E

Q

N

G

G

R

K

I

I

I

L

Y

F

D

D

S

T

G

-

V

V

T

D

L

L

I

C

E

A

T

T

W

W

R

E

A

A

L

M

E

E

R

K

L

C

V

K

D

D

E

A

G

G

R

L

C

A

K

K

S

S

I

I

G

G

L

V

S

S

D

N

I

F

T

N

L

H

Q

R

A

L

L

L

Q

E

E

M

I

I

V

L

A

N

V

K

A

P

-

G

-

L

R

K

I

Y

K

K

P

P

A

V

V

C

V

N

Q
|
Q

V

V

E

E

S

C

H

H

P

P

Y

Y

L

F

P

N

E

Q

W

R

E

K

L

L

E

D

F

F

C

C

R

K

Q

S

H

K

G

D

I

I

I

V

V

L

L

V

A

A

F
x
Y

A
x
S

P

A

L
|
L

G

G

H
x
S

G
x
H

M

R

Q

E

-

E

-

P

-

W

-

V

-

D

-

P

-

N

-

S

P

P

N

V

V

L

L

L

E

E

D

D

A

P

V

V

I

L

T

C

G

A

V

L

A

A

R

K

L

H

Q

K

Q

R

T

T

P

P

A
|
A

Q

L

V

I

A

A

L

L

A

R

W

Y

S

Q

V

L

Q

Q

R

R

G

G

V

V

A

V

F

V

L
|
L

T

A

T
x
K

S
|
S

A

Y

T

N

L

E

S

Q

H
x
R

I

I

Q

R

E
x
Q

N
|
N

-

V

-

Q

-

V

-

F

-

E

F

F

A

Q

I

L

S

T

T

S

L

E

P

E

H

M

R

K

A

A

M

I

L

-

E

-

I

-

K

-

D

D

D

G

I

L

T

N

T

R

R

N

V

V

R

R

F

Y

N

L

S

T

V

L

-

D

V

I

E

F

T

A

G

G

V

P

P

P

G

N

F

Y

active site: D52 (= D55), Y57 (= Y60), K86 (= K89), H119 (= H122)
binding 5alpha-androstan-3,17-dione: Y26 (≠ L32), W88 (= W91), I131 (≠ E134)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G24 (= G30), T25 (= T31), Y26 (≠ L32), D52 (= D55), Y57 (= Y60), H119 (= H122), Q192 (= Q194), Y218 (≠ F220), S219 (≠ A221), L221 (= L223), S223 (≠ H225), H224 (≠ G226), A255 (= A249), L270 (= L264), K272 (≠ T266), S273 (= S267), R278 (≠ H272), Q281 (≠ E275), N282 (= N276)

4l1wA Crystal structuer of human 3-alpha hydroxysteroid dehydrogenase type 3 in complex with NADP+ and progesterone (see paper)
38% identity, 95% coverage: 12:311/316 of query aligns to 4:319/325 of 4l1wA

query
sites
4l1wA

D

D

T

S

K

K

F

Y

P

Q

L

C

V

V

H

K

G

L

S

N

G

D

A

G

-

H

-

F

M

M

P

P

A

V

V

L

G

G

F

F

G
|
G

T
|
T

L
x
Y

F

A

R

P

-

A

-

E

-

V

D

P

L

K

S

S

V

K

T

A

T

L

Q

E

A

A

I

V

K

K

H

L

A

A

L

I

E

E

T

A

G

G

F

F

R

H

H

H

F

I

D
|
D

C

S

A

A

E

H

R

V

Y
|
Y

R

N

N

N

E

E

D

E

K

Q

V

V

G

G

V

L

A

A

I

I

K

R

E

S

F

K

L

I

E

A

T

D

G

G

K

S

V

V

R

K

R

R

E

E

D

D

L

I

F

F

I

Y

T

T

T

S

K
|
K

L

L

W

W

N

S

T

N

N

S

H

H

R

R

P

P

E

E

R

L

V

V

L

R

P

P

A

A

F

L

E

E

A

R

S

S

C

L

R

K

R

N

L

L

Q

Q

V

L

D

D

Y

Y

I

V

D

D

C

L

Y

Y

L

L

I

I

H
|
H

T

F

P

P

F

V

A

S

F

V

Q

K

P

P

G

G

E

E

D

E

Q
x
V

E
x
I

P

P

R

K

D

D

E

E

Q

N

G

G

R

K

I

I

I

L

Y

F

D

D

S

T

G

-

V

V

T

D

L

L

I

C

E

A

T

T

W

W

R

E

A

A

L

M

E

E

R

K

L

C

V

K

D

D

E

A

G

G

R

L

C

A

K

K

S

S

I

I

G

G

L

V

S

S

D

N

I

F

T

N

L

H

Q

R

A

L

L

L

Q

E

E

M

I

I

V

L

A

N

V

K

A

P

-

G

-

L

R

K

I

Y

K

K

P

P

A

V

V

C

V

N

Q
|
Q

V

V

E

E

S

C

H

H

P

P

Y

Y

L

F

P

N

E

Q

W

R

E

K

L

L

E

D

F

F

C

C

R

K

Q

S

H

K

G

D

I

I

I

V

V

L

L

V

A

A

F
x
Y

A
x
S

P

A

L
|
L

G

G

H
x
S

G
x
H

M

R

Q

E

-

E

-

P

-
x
W

-

V

-

D

-

P

-

N

-

S

P

P

N

V

V

L

L

L

E

E

D

D

A

P

V

V

I

L

T

C

G

A

V

L

A

A

R

K

L

H

Q

K

Q

R

T

T

P

P

A
|
A

Q

L

V

I

A

A

L

L

A

R

W

Y

S

Q

V

L

Q

Q

R

R

G

G

V

V

A

V

F

V

L
|
L

T

A

T
x
K

S
|
S

A

Y

T

N

L

E

S

Q

H
x
R

I

I

Q

R

E
x
Q

N
|
N

-

V

-

Q

-

V

-

F

-

E

F

F

A

Q

I

L

S

T

T

S

L

E

P

E

H

M

R

K

A

A

M

I

L

-

E

-

I

-

K

-

D

D

D

G

I

L

T

N

T

R

R

N

V

V

R

R

F

Y

N

L

S

T

V
x
L

-

D

V

I

E

F

T

A

G

G

V

P

P

P

G

N

F

Y

active site: D52 (= D55), Y57 (= Y60), K86 (= K89), H119 (= H122)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G24 (= G30), T25 (= T31), Y26 (≠ L32), D52 (= D55), Y57 (= Y60), H119 (= H122), Q192 (= Q194), Y218 (≠ F220), S219 (≠ A221), L221 (= L223), S223 (≠ H225), H224 (≠ G226), A255 (= A249), L270 (= L264), K272 (≠ T266), S273 (= S267), R278 (≠ H272), Q281 (≠ E275), N282 (= N276)
binding progesterone: Y26 (≠ L32), V130 (≠ Q133), I131 (≠ E134), W229 (vs. gap), L310 (≠ V303)

1xjbA Crystal structure of human type 3 3alpha-hydroxysteroid dehydrogenase in complex with NADP(h), citrate and acetate molecules (see paper)
38% identity, 95% coverage: 12:311/316 of query aligns to 4:319/325 of 1xjbA

query
sites
1xjbA

D

D

T

S

K

K

F

Y

P

Q

L

C

V

V

H

K

G

L

S

N

G

D

A

G

-

H

-

F

M

M

P
|
P

A

V

V
x
L

G

G

F

F

G
|
G

T
|
T

L
x
Y

F

A

R

P

-

A

-

E

-

V

D

P

L

K

S

S

V

K

T

A

T

L

Q

E

A

A

I

V

K

K

H

L

A

A

L

I

E

E

T

A

G

G

F

F

R

H

H

H

F

I

D
|
D

C

S

A

A

E

H

R

V

Y
|
Y

R

N

N

N

E

E

D

E

K

Q

V

V

G

G

V

L

A

A

I

I

K

R

E

S

F

K

L

I

E

A

T

D

G

G

K

S

V

V

R

K

R

R

E

E

D

D

L

I

F

F

I

Y

T

T

T

S

K
|
K

L

L

W

W

N

S

T

N

N

S

H

H

R

R

P

P

E

E

R

L

V

V

L

R

P

P

A

A

F

L

E

E

A

R

S

S

C

L

R

K

R

N

L

L

Q

Q

V

L

D

D

Y

Y

I

V

D

D

C

L

Y

Y

L

L

I

I

H
|
H

T

F

P

P

F

V

A

S

F

V

Q

K

P

P

G

G

E

E

D

E

Q

V

E

I

P

P

R

K

D

D

E

E

Q

N

G

G

R

K

I

I

I

L

Y

F

D

D

S

T

G

-

V

V

T

D

L

L

I

C

E

A

T

T

W

W

R

E

A

A

L

M

E

E

R

K

L

C

V

K

D

D

E

A

G

G

R

L

C

A

K

K

S

S

I

I

G

G

L

V

S

S

D
x
N

I

F

T

N

L

H

Q

R

A

L

L

L

Q

E

E

M

I

I

V

L

A

N

V

K

A

P

-

G

-

L

R

K

I

Y

K

K

P

P

A

V

V

C

V

N

Q
|
Q

V

V

E

E

S

C

H

H

P

P

Y

Y

L

F

P

N

E

Q

W

R

E

K

L

L

E

D

F

F

C

C

R

K

Q

S

H

K

G

D

I

I

I

V

V

L

L

V

A

A

F
x
Y

A
x
S

P

A

L
|
L

G

G

H
x
S

G
x
H

M

R

Q

E

-

E

-

P

-

W

-

V

-

D

-

P

-

N

-

S

P

P

N

V

V

L

L
|
L

E

E

D

D

A

P

V

V

I

L

T

C

G

A

V

L

A

A

R

K

L

H

Q

K

Q

R

T

T

P

P

A
|
A

Q

L

V

I

A

A

L

L

A

R

W

Y

S

Q

V

L

Q

Q

R

R

G

G

V

V

A

V

F

V

L
|
L

T
x
A

T
x
K

S
|
S

A

Y

T

N

L

E

S

Q

H
x
R

I

I

Q

R

E
x
Q

N
|
N

-

V

-

Q

-

V

-
x
F

-

E

F

F

A

Q

I

L

S

T

T

S

L

E

P

E

H

M

R

K

A

A

M

I

L

-

E

-

I

-

K

-

D

D

D

G

I

L

T

N

T

R

R

N

V

V

R

R

F

Y

N

L

S

T

V

L

-

D

V

I

E

F

T

A

G

G

V

P

P

P

G

N

F

Y

active site: D52 (= D55), Y57 (= Y60), K86 (= K89), H119 (= H122)
binding acetate ion: P19 (= P25), L21 (≠ V27), Y57 (= Y60), H119 (= H122), F286 (vs. gap)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G24 (= G30), T25 (= T31), Y26 (≠ L32), D52 (= D55), Y57 (= Y60), H119 (= H122), N169 (≠ D173), Q192 (= Q194), Y218 (≠ F220), S219 (≠ A221), L221 (= L223), S223 (≠ H225), H224 (≠ G226), L238 (= L232), A255 (= A249), L270 (= L264), A271 (≠ T265), K272 (≠ T266), S273 (= S267), R278 (≠ H272), Q281 (≠ E275), N282 (= N276)

3cv7A Crystal structure of porcine aldehyde reductase ternary complex (see paper)
41% identity, 83% coverage: 17:279/316 of query aligns to 7:276/322 of 3cv7A

query
sites
3cv7A

L

L

V

L

H

H

G

T

S

G

G

Q

A

K

M

M

P

P

A

L

V

I

G

G

F

L

G
|
G

T
|
T

L
x
W

F

K

R

S

D

E

L

P

S

G

V

Q

T

V

T

K

Q

A

A

A

I

I

K

K

H

Y

A

A

L

L

E

T

T

V

G

G

F

Y

R

R

H

H

F

I

D
|
D

C

C

A

A

E

A

R

I

Y
|
Y

R

G

N

N

E

E

D

L

K

E

V

I

G

G

V

E

A

A

I

L

K

Q

E

E

F

T

L

V

E

G

T

P

G

G

K

K

-

A

V

V

R

P

R

R

E

E

D

E

L

L

F

F

I

V

T

T

T

S

K
|
K

L

L

W
|
W

N

N

T

T

N

K

H

H

R

H

P

P

E

E

R

D

V

V

L

E

P

P

A

A

F

L

E

R

A

K

S

T

C

L

R

A

R

D

L

L

Q

Q

V

L

D

E

Y

Y

I

L

D

D

C

L

Y

Y

L

L

I

M

H
|
H

T

W

P

P

F

Y

A

A

F

F

Q

E

P

R

G

G

E

D

D

N

Q

P

E

F

P

P

R

K

D

N

E

A

Q

D

G

G

R

T

I

I

I

R

Y

Y

D

D

S

A

G

-

V

T

T

H

L

Y

I

K

E

D

T

T

W

W

R

K

A

A

L

L

E

E

R

A

L

L

V

V

D

A

E

K

G

G

R

L

C

V

K

R

S

A

I

L

G

G

L

L

S

S

D

N

I

F

T

S

L

S

Q

R

A

Q

L

I

Q

D

E

D

I

V

V

L

A

S

V

V

A

A

R

S

I

V

K

R

P

P

A

A

V

V

V

L

Q
|
Q

V

V

E

E

S

C

H

H

P

P

Y

Y

L

L

P

A

E

Q

W

N

E

E

L

L

L

I

E

A

F

H

C

C

R

Q

Q

A

H

R

G

G

I

L

I

E

V

V

L

T

A

A

F
x
Y

A
x
S

P
|
P

L
|
L

G

G

H
x
S

G

S

-

D

-

R

-

A

-

W

-

R

-

D

-

P

M

N

Q

E

P

P

N

V

V

L

L

L

E

E

D

E

A

P

V

V

I

V

T

Q

G

A

V

L

A

A

R

E

R

K

L

Y

Q

N

Q

R

T

S

P

P

A
|
A

Q

Q

V

I

A

L

L

L

A

R

W

W

S

Q

V

V

Q

Q

R

R

G

K

V

V

A

I

F

C

L
x
I

T
x
P

T
x
K

S
|
S

A
x
V

T
|
T

L

P

S

S

H
x
R

I

I

Q

L

E
x
Q

N
|
N

F

I

A

Q

I

V

active site: D45 (= D55), Y50 (= Y60), K80 (= K89), H113 (= H122)
binding 3,5-dichloro-2-hydroxybenzoic acid: W22 (≠ L32), Y50 (= Y60), W82 (= W91), H113 (= H122)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G20 (= G30), T21 (= T31), W22 (≠ L32), Y50 (= Y60), H113 (= H122), Q184 (= Q194), Y210 (≠ F220), S211 (≠ A221), P212 (= P222), L213 (= L223), S215 (≠ H225), A246 (= A249), I261 (≠ L264), P262 (≠ T265), K263 (≠ T266), S264 (= S267), V265 (≠ A268), T266 (= T269), R269 (≠ H272), Q272 (≠ E275), N273 (= N276)

Sites not aligning to the query:

binding 3,5-dichloro-2-hydroxybenzoic acid: 309

3fx4A Porcine aldehyde reductase in ternary complex with inhibitor (see paper)
41% identity, 83% coverage: 17:279/316 of query aligns to 7:276/325 of 3fx4A

query
sites
3fx4A

L

L

V

L

H

H

G

T

S

G

G

Q

A

K

M

M

P

P

A

L

V

I

G

G

F

L

G
|
G

T
|
T

L
x
W

F

K

R

S

D

E

L

P

S

G

V

Q

T

V

T

K

Q

A

A

A

I

I

K

K

H

Y

A

A

L

L

E

T

T

V

G

G

F

Y

R

R

H

H

F

I

D
|
D

C

C

A

A

E

A

R

I

Y
|
Y

R

G

N

N

E

E

D

L

K

E

V

I

G

G

V

E

A

A

I

L

K

Q

E

E

F

T

L

V

E

G

T

P

G

G

K

K

-

A

V

V

R

P

R

R

E

E

D

E

L

L

F

F

I

V

T

T

T

S

K
|
K

L

L

W

W

N

N

T

T

N

K

H

H

R

H

P

P

E

E

R

D

V

V

L

E

P

P

A

A

F

L

E

R

A

K

S

T

C

L

R

A

R

D

L

L

Q

Q

V

L

D

E

Y

Y

I

L

D

D

C

L

Y

Y

L

L

I

M

H
|
H

T

W

P

P

F

Y

A

A

F

F

Q

E

P

R

G

G

E

D

D

N

Q

P

E

F

P

P

R

K

D

N

E

A

Q

D

G

G

R

T

I

I

I

R

Y

Y

D

D

S

A

G

-

V

T

T

H

L

Y

I

K

E

D

T

T

W

W

R

K

A

A

L

L

E

E

R

A

L

L

V

V

D

A

E

K

G

G

R

L

C

V

K

R

S

A

I

L

G

G

L

L

S

S

D

N

I

F

T

S

L

S

Q

R

A

Q

L

I

Q

D

E

D

I

V

V

L

A

S

V

V

A

A

R

S

I

V

K

R

P

P

A

A

V

V

V

L

Q
|
Q

V

V

E

E

S

C

H

H

P

P

Y

Y

L

L

P

A

E

Q

W

N

E

E

L

L

L

I

E

A

F

H

C

C

R

Q

Q

A

H

R

G

G

I

L

I

E

V

V

L

T

A

A

F
x
Y

A
x
S

P
|
P

L
|
L

G

G

H
x
S

G

S

-

D

-
x
R

-
x
A

-

W

-

R

-

D

-

P

M

N

Q

E

P

P

N

V

V

L

L

L

E

E

D

E

A

P

V

V

I

V

T

Q

G

A

V

L

A

A

R

E

R

K

L

Y

Q

N

Q

R

T

S

P

P

A
|
A

Q

Q

V

I

A

L

L

L

A

R

W

W

S

Q

V

V

Q

Q

R

R

G

K

V

V

A

I

F

C

L
x
I

T
x
P

T
x
K

S
|
S

A
x
V

T
|
T

L

P

S

S

H
x
R

I

I

Q

L

E
x
Q

N
|
N

F

I

A

Q

I

V

active site: D45 (= D55), Y50 (= Y60), K80 (= K89), H113 (= H122)
binding [(5Z)-5-{[3-(carboxymethoxy)-4-methoxyphenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid: W22 (≠ L32), Y50 (= Y60), H113 (= H122), R218 (vs. gap), A219 (vs. gap)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G20 (= G30), T21 (= T31), W22 (≠ L32), D45 (= D55), Y50 (= Y60), H113 (= H122), Q184 (= Q194), Y210 (≠ F220), S211 (≠ A221), P212 (= P222), L213 (= L223), S215 (≠ H225), A246 (= A249), I261 (≠ L264), P262 (≠ T265), K263 (≠ T266), S264 (= S267), V265 (≠ A268), T266 (= T269), R269 (≠ H272), Q272 (≠ E275), N273 (= N276)

Sites not aligning to the query:

binding [(5Z)-5-{[3-(carboxymethoxy)-4-methoxyphenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid: 298, 299, 300

P50578 Aldo-keto reductase family 1 member A1; Alcohol dehydrogenase [NADP(+)]; Aldehyde reductase; Glucuronate reductase; Glucuronolactone reductase; EC 1.1.1.2; EC 1.1.1.372; EC 1.1.1.54; EC 1.1.1.19; EC 1.1.1.20 from Sus scrofa (Pig) (see paper)
41% identity, 83% coverage: 17:279/316 of query aligns to 7:276/325 of P50578

query
sites
P50578

L

L

V

L

H

H

G

T

S

G

G

Q

A

K

M

M

P

P

A

L

V

I

G

G

F

L

G

G

T

T

L

W

F

K

R

S

D

E

L

P

S

G

V

Q

T

V

T

K

Q

A

A

A

I

I

K

K

H

Y

A

A

L

L

E

T

T

V

G

G

F

Y

R

R

H

H

F

I

D

D

C

C

A

A

E

A

R

I

Y
|
Y

R

G

N

N

E

E

D

L

K

E

V

I

G

G

V

E

A

A

I

L

K

Q

E

E

F

T

L

V

E

G

T

P

G

G

K

K

-

A

V

V

R

P

R

R

E

E

D

E

L

L

F

F

I

V

T

T

T

S

K

K

L

L

W

W

N

N

T

T

N

K

H

H

R

H

P

P

E

E

R

D

V

V

L

E

P

P

A

A

F

L

E

R

A

K

S

T

C

L

R

A

R

D

L

L

Q

Q

V

L

D

E

Y

Y

I

L

D

D

C

L

Y

Y

L

L

I

M

H
|
H

T

W

P

P

F

Y

A

A

F

F

Q

E

P

R

G

G

E

D

D

N

Q

P

E

F

P

P

R

K

D

N

E

A

Q

D

G

G

R

T

I

I

I

R

Y

Y

D

D

S

A

G

-

V

T

T

H

L

Y

I

K

E

D

T

T

W

W

R

K

A

A

L

L

E

E

R

A

L

L

V

V

D

A

E

K

G

G

R

L

C

V

K

R

S

A

I

L

G

G

L

L

S

S

D

N

I

F

T

S

L

S

Q

R

A

Q

L

I

Q

D

E

D

I

V

V

L

A

S

V

V

A

A

R

S

I

V

K

R

P

P

A

A

V

V

V

L

Q

Q

V

V

E

E

S

C

H

H

P

P

Y

Y

L

L

P

A

E

Q

W

N

E

E

L

L

L

I

E

A

F

H

C

C

R

Q

Q

A

H

R

G

G

I

L

I

E

V

V

L

T

A

A

F

Y

A
x
S

P
|
P

L
|
L

G
|
G

H
x
S

G
x
S

-
x
D

-
x
R

-
x
A

-
x
W

-
x
R

-
x
D

-
x
P

M
x
N

Q
x
E

P
|
P

N
x
V

V
x
L

L
|
L

E
|
E

D
x
E

A
x
P

V
|
V

I
x
V

T
x
Q

G
x
A

V
x
L

A
|
A

R
x
E

R
x
K

L
x
Y

Q
x
N

Q
x
R

T
x
S

P
|
P

A
|
A

Q
|
Q

V
x
I

A
x
L

L
|
L

A
x
R

W
|
W

S
x
Q

V
|
V

Q
|
Q

R
|
R

G
x
K

V
|
V

A
x
I

F
x
C

L
x
I

T
x
P

T
x
K

S
|
S

A
x
V

T
|
T

L
x
P

S
|
S

H
x
R

I
|
I

Q
x
L

E
x
Q

N
|
N

F

I

A

Q

I

V

Y50 (= Y60) active site, Proton donor
H113 (= H122) binding
211:273 (vs. 221:276, 35% identical) binding

4xo7A Crystal structure of human 3-alpha hydroxysteroid dehydrogenase type 3 in complex with NADP+, 5alpha-androstan-3,17-dione and (3beta, 5alpha)-3-hydroxyandrostan-17-one (see paper)
38% identity, 95% coverage: 12:311/316 of query aligns to 1:316/322 of 4xo7A

query
sites
4xo7A

D

D

T

S

K

K

F

Y

P

Q

L

C

V

V

H

K

G

L

S

N

G

D

A

G

-

H

-

F

M

M

P

P

A

V

V

L

G

G

F

F

G
|
G

T
|
T

L
x
Y

F

A

R

P

-

A

-

E

-

V

D

P

L

K

S

S

V

K

T

A

T

L

Q

E

A

A

I

V

K

K

H

L

A

A

L

I

E

E

T

A

G

G

F

F

R

H

H

H

F

I

D
|
D

C

S

A

A

E

H

R

V

Y
|
Y

R

N

N

N

E

E

D

E

K

Q

V

V

G

G

V

L

A

A

I

I

K

R

E

S

F

K

L

I

E

A

T

D

G

G

K

S

V

V

R

K

R

R

E

E

D

D

L

I

F

F

I

Y

T

T

T

S

K
|
K

L

L

W

W

N

S

T

N

N

S

H

H

R

R

P

P

E

E

R

L

V

V

L

R

P

P

A

A

F

L

E

E

A

R

S

S

C

L

R

K

R

N

L

L

Q

Q

V

L

D

D

Y

Y

I

V

D

D

C

L

Y

Y

L

L

I

I

H
|
H

T

F

P

P

F

V

A

S

F

V

Q

K

P

P

G

G

E

E

D

E

Q
x
V

E
x
I

P

P

R

K

D

D

E

E

Q

N

G

G

R

K

I

I

I

L

Y

F

D

D

S

T

G

-

V

V

T

D

L

L

I

C

E

A

T

T

W

W

R

E

A

A

L

M

E

E

R

K

L

C

V

K

D

D

E

A

G

G

R

L

C

A

K

K

S

S

I

I

G

G

L

V

S
|
S

D
x
N

I

F

T

N

L

H

Q

R

A

L

L

L

Q

E

E

M

I

I

V

L

A

N

V

K

A

P

-

G

-

L

R

K

I

Y

K

K

P

P

A

V

V

C

V

N

Q
|
Q

V

V

E

E

S

C

H

H

P

P

Y

Y

L

F

P

N

E

Q

W

R

E

K

L

L

E

D

F

F

C

C

R

K

Q

S

H

K

G

D

I

I

I

V

V

L

L

V

A

A

F
x
Y

A
x
S

P

A

L
|
L

G

G

H
x
S

G
x
H

M

R

Q

E

-

E

-

P

-
x
W

-

V

-

D

-

P

-

N

-

S

P

P

N

V

V

L

L

L

E

E

D

D

A

P

V

V

I

L

T

C

G

A

V

L

A

A

R

K

L

H

Q

K

Q

R

T

T

P

P

A
|
A

Q

L

V

I

A

A

L

L

A

R

W

Y

S

Q

V

L

Q

Q

R

R

G

G

V

V

A

V

F

V

L
|
L

T

A

T
x
K

S
|
S

A

Y

T

N

L

E

S

Q

H
x
R

I

I

Q

R

E
x
Q

N
|
N

-

V

-

Q

-

V

-

F

-

E

F

F

A

Q

I

L

S

T

T

S

L

E

P

E

H

M

R

K

A

A

M

I

L

-

E

-

I

-

K

-

D

D

D

G

I

L

T

N

T

R

R

N

V

V

R

R

F

Y

N

L

S

T

V

L

-

D

V

I

E

F

T

A

G

G

V

P

P

P

G

N

F

Y

active site: D49 (= D55), Y54 (= Y60), K83 (= K89), H116 (= H122)
binding 4-androstene-3-17-dione: Y23 (≠ L32), V127 (≠ Q133), I128 (≠ E134), H221 (≠ G226), W226 (vs. gap)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G21 (= G30), T22 (= T31), Y23 (≠ L32), D49 (= D55), Y54 (= Y60), H116 (= H122), S165 (= S172), N166 (≠ D173), Q189 (= Q194), Y215 (≠ F220), S216 (≠ A221), L218 (= L223), S220 (≠ H225), H221 (≠ G226), A252 (= A249), L267 (= L264), K269 (≠ T266), S270 (= S267), R275 (≠ H272), Q278 (≠ E275), N279 (= N276)

2hdjA Crystal structure of human type 3 3alpha-hydroxysteroid dehydrogenase in complex with NADP(h) (see paper)
38% identity, 95% coverage: 12:311/316 of query aligns to 1:316/322 of 2hdjA

query
sites
2hdjA

D

D

T

S

K

K

F

Y

P

Q

L

C

V

V

H

K

G

L

S

N

G

D

A

G

-

H

-

F

M

M

P

P

A

V

V

L

G

G

F

F

G
|
G

T
|
T

L
x
Y

F

A

R

P

-

A

-

E

-

V

D

P

L

K

S

S

V

K

T

A

T

L

Q

E

A

A

I

V

K

K

H

L

A

A

L

I

E

E

T

A

G

G

F

F

R

H

H

H

F

I

D
|
D

C

S

A

A

E

H

R

V

Y
|
Y

R

N

N

N

E

E

D

E

K

Q

V

V

G

G

V

L

A

A

I

I

K

R

E

S

F

K

L

I

E

A

T

D

G

G

K

S

V

V

R

K

R

R

E

E

D

D

L

I

F

F

I

Y

T

T

T

S

K
|
K

L

L

W

W

N

S

T

N

N

S

H

H

R

R

P

P

E

E

R

L

V

V

L

R

P

P

A

A

F

L

E

E

A

R

S

S

C

L

R

K

R

N

L

L

Q

Q

V

L

D

D

Y

Y

I

V

D

D

C

L

Y

Y

L

L

I

I

H
|
H

T

F

P

P

F

V

A

S

F

V

Q

K

P

P

G

G

E

E

D

E

Q

V

E

I

P

P

R

K

D

D

E

E

Q

N

G

G

R

K

I

I

I

L

Y

F

D

D

S

T

G

-

V

V

T

D

L

L

I

C

E

A

T

T

W

W

R

E

A

A

L

M

E

E

R

K

L

C

V

K

D

D

E

A

G

G

R

L

C

A

K

K

S

S

I

I

G

G

L

V

S

S

D

N

I

F

T

N

L

H

Q

R

A

L

L

L

Q

E

E

M

I

I

V

L

A

N

V

K

A

P

-

G

-

L

R

K

I

Y

K

K

P

P

A

V

V

C

V

N

Q
|
Q

V

V

E

E

S

C

H

H

P

P

Y

Y

L

F

P

N

E

Q

W

R

E

K

L

L

E

D

F

F

C

C

R

K

Q

S

H

K

G

D

I

I

I

V

V

L

L

V

A

A

F
x
Y

A
x
S

P

A

L
|
L

G

G

H
x
S

G
x
H

M

R

Q

E

-

E

-

P

-

W

-

V

-

D

-

P

-

N

-

S

P

P

N

V

V

L

L
|
L

E

E

D

D

A

P

V

V

I

L

T

C

G

A

V

L

A

A

R

K

L

H

Q

K

Q

R

T

T

P

P

A
|
A

Q

L

V

I

A

A

L

L

A

R

W

Y

S

Q

V

L

Q

Q

R

R

G

G

V

V

A

V

F

V

L

L

T

A

T
x
K

S
|
S

A

Y

T

N

L

E

S

Q

H
x
R

I

I

Q

R

E
x
Q

N
|
N

-

V

-

Q

-

V

-

F

-

E

F

F

A

Q

I

L

S

T

T

S

L

E

P

E

H

M

R

K

A

A

M

I

L

-

E

-

I

-

K

-

D

D

D

G

I

L

T

N

T

R

R

N

V

V

R

R

F

Y

N

L

S

T

V

L

-

D

V

I

E

F

T

A

G

G

V

P

P

P

G

N

F

Y

active site: D49 (= D55), Y54 (= Y60), K83 (= K89), H116 (= H122)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G21 (= G30), T22 (= T31), Y23 (≠ L32), D49 (= D55), Y54 (= Y60), H116 (= H122), Q189 (= Q194), Y215 (≠ F220), S216 (≠ A221), L218 (= L223), S220 (≠ H225), H221 (≠ G226), L235 (= L232), A252 (= A249), K269 (≠ T266), S270 (= S267), R275 (≠ H272), Q278 (≠ E275), N279 (= N276)

1j96A Human 3alpha-hsd type 3 in ternary complex with NADP and testosterone (see paper)
38% identity, 95% coverage: 12:311/316 of query aligns to 2:317/323 of 1j96A

query
sites
1j96A

D

D

T

S

K

K

F

Y

P

Q

L

C

V

V

H

K

G

L

S

N

G

D

A

G

-

H

-

F

M

M

P

P

A

V

V

L

G

G

F

F

G
|
G

T
|
T

L
x
Y

F

A

R

P

-

A

-

E

-

V

D

P

L

K

S

S

V

K

T

A

T

L

Q

E

A

A

I

V

K

K

H

L

A

A

L

I

E

E

T

A

G

G

F

F

R

H

H

H

F

I

D
|
D

C

S

A

A

E

H

R

V

Y
|
Y

R

N

N

N

E

E

D

E

K

Q

V

V

G

G

V

L

A

A

I

I

K

R

E

S

F

K

L

I

E

A

T

D

G

G

K

S

V

V

R

K

R

R

E

E

D

D

L

I

F

F

I

Y

T

T

T

S

K
|
K

L

L

W

W

N

S

T

N

N

S

H

H

R

R

P

P

E

E

R

L

V

V

L

R

P

P

A

A

F

L

E

E

A

R

S

S

C

L

R

K

R

N

L

L

Q

Q

V

L

D

D

Y

Y

I

V

D

D

C

L

Y

Y

L

L

I

I

H
|
H

T

F

P

P

F

V

A

S

F

V

Q

K

P

P

G

G

E

E

D

E

Q
x
V

E
x
I

P

P

R

K

D

D

E

E

Q

N

G

G

R

K

I

I

I

L

Y

F

D

D

S

T

G

-

V

V

T

D

L

L

I

C

E

A

T

T

W

W

R

E

A

A

L

M

E

E

R

K

L

C

V

K

D

D

E

A

G

G

R

L

C

A

K

K

S

S

I

I

G

G

L

V

S

S

D

N

I

F

T

N

L

H

Q

R

A

L

L

L

Q

E

E

M

I

I

V

L

A

N

V

K

A

P

-

G

-

L

R

K

I

Y

K

K

P

P

A

V

V

C

V

N

Q
|
Q

V

V

E

E

S

C

H

H

P

P

Y

Y

L

F

P

N

E

Q

W

R

E

K

L

L

E

D

F

F

C

C

R

K

Q

S

H

K

G

D

I

I

I

V

V

L

L

V

A

A

F
x
Y

A
x
S

P

A

L
|
L

G

G

H
x
S

G
x
H

M

R

Q

E

-

E

-

P

-
x
W

-

V

-

D

-

P

-

N

-

S

P

P

N

V

V

L

L

L

E

E

D

D

A

P

V

V

I

L

T

C

G

A

V

L

A

A

R

K

L

H

Q

K

Q

R

T

T

P

P

A
|
A

Q

L

V

I

A

A

L

L

A

R

W

Y

S

Q

V

L

Q

Q

R

R

G

G

V

V

A

V

F

V

L

L

T

A

T
x
K

S
|
S

A

Y

T

N

L

E

S

Q

H
x
R

I

I

Q

R

E
x
Q

N
|
N

-

V

-

Q

-

V

-

F

-

E

F

F

A

Q

I

L

S

T

T

S

L

E

P

E

H

M

R

K

A

A

M

I

L

-

E

-

I

-

K

-

D

D

D

G

I

L

T

N

T

R

R

N

V

V

R

R

F

Y

N
x
L

S

T

V

L

-

D

V

I

E

F

T

A

G

G

V

P

P

P

G

N

F

Y

active site: D50 (= D55), Y55 (= Y60), K84 (= K89), H117 (= H122)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G22 (= G30), T23 (= T31), Y24 (≠ L32), D50 (= D55), Y55 (= Y60), Q190 (= Q194), Y216 (≠ F220), S217 (≠ A221), L219 (= L223), S221 (≠ H225), H222 (≠ G226), A253 (= A249), K270 (≠ T266), S271 (= S267), R276 (≠ H272), Q279 (≠ E275), N280 (= N276), L306 (≠ N301)
binding testosterone: Y24 (≠ L32), V128 (≠ Q133), I129 (≠ E134), W227 (vs. gap)

Query Sequence

>AO353_28090 FitnessBrowser__pseudo3_N2E3:AO353_28090
MSYEAFHDELRDTKFPLVHGSGAMPAVGFGTLFRDLSVTTQAIKHALETGFRHFDCAERY
RNEDKVGVAIKEFLETGKVRREDLFITTKLWNTNHRPERVLPAFEASCRRLQVDYIDCYL
IHTPFAFQPGEDQEPRDEQGRIIYDSGVTLIETWRALERLVDEGRCKSIGLSDITLQALQ
EIVAVARIKPAVVQVESHPYLPEWELLEFCRQHGIIVLAFAPLGHGMQPNVLEDAVITGV
ARRLQQTPAQVALAWSVQRGVAFLTTSATLSHIQENFAISTLPHRAMLEIKDDITTRVRF
NSVVETGVPGFIPGKK

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory