SitesBLAST
Comparing 8501727 DvMF_2444 short-chain dehydrogenase/reductase SDR (RefSeq) to proteins with known functional sites using BLASTp with E ≤ 0.001.
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Found 20 (the maximum) hits to proteins with known functional sites (download)
3gegA Fingerprint and structural analysis of a scor enzyme with its bound cofactor from clostridium thermocellum (see paper)
37% identity, 91% coverage: 28:304/306 of query aligns to 2:230/241 of 3gegA
- active site: S132 (= S192), Y145 (= Y205), K149 (= K209)
- binding nicotinamide-adenine-dinucleotide: G8 (= G34), H11 (≠ Q37), I13 (= I39), D32 (= D58), I33 (≠ A59), R37 (≠ A63), D54 (≠ S110), V55 (= V111), N81 (= N137), C83 (≠ P143), R84 (≠ H144), I130 (= I190), A131 (= A191), S132 (= S192), Y145 (= Y205), K149 (= K209), P174 (= P234), G175 (= G235), I177 (= I237), V179 (= V239)
1vl8B Crystal structure of gluconate 5-dehydrogenase (tm0441) from thermotoga maritima at 2.07 a resolution
32% identity, 90% coverage: 25:299/306 of query aligns to 4:250/252 of 1vl8B
- active site: G17 (= G38), S143 (= S192), I154 (≠ T202), Y157 (= Y205), K161 (= K209)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G34), R16 (≠ Q37), G17 (= G38), L18 (≠ I39), S37 (≠ D58), R38 (≠ A59), C63 (≠ G109), D64 (≠ S110), V65 (= V111), A91 (≠ N137), A92 (= A138), G93 (= G139), I94 (= I140), V114 (= V164), I141 (= I190), S143 (= S192), Y157 (= Y205), K161 (= K209), P187 (= P234), G188 (= G235), Y190 (≠ I237), T192 (≠ V239), M194 (≠ L242), T195 (≠ R243)
3rwbA Crystal structure of complex of 4pal (4-pyridoxolactone) and pldh (tetrameric pyridoxal 4-dehydrogenase) from mesorhizobium loti
34% identity, 90% coverage: 25:300/306 of query aligns to 4:246/247 of 3rwbA
- active site: G17 (= G38), S140 (= S192), Y153 (= Y205), K157 (= K209)
- binding 7-hydroxy-6-methylfuro[3,4-c]pyridin-1(3H)-one: S140 (= S192), N141 (≠ T193), T142 (≠ R194), M150 (≠ T202), Y153 (= Y205), L185 (≠ W236), H196 (= H247)
- binding nicotinamide-adenine-dinucleotide: G13 (= G34), Q16 (= Q37), G17 (= G38), I18 (= I39), D37 (= D58), I38 (≠ A59), D60 (≠ S110), I61 (≠ V111), N87 (= N137), A88 (= A138), S89 (≠ G139), I138 (= I190), S140 (= S192), Y153 (= Y205), K157 (= K209), P183 (= P234), L185 (≠ W236), I186 (= I237), S188 (≠ V239), G190 (≠ H241), V191 (≠ L242)
3ndrA Crystal structure of tetrameric pyridoxal 4-dehydrogenase from mesorhizobium loti
34% identity, 90% coverage: 25:300/306 of query aligns to 4:246/247 of 3ndrA
- active site: G17 (= G38), S140 (= S192), Y153 (= Y205), K157 (= K209)
- binding nicotinamide-adenine-dinucleotide: G13 (= G34), Q16 (= Q37), G17 (= G38), I18 (= I39), D37 (= D58), I38 (≠ A59), D60 (≠ S110), I61 (≠ V111), N87 (= N137), A88 (= A138), S89 (≠ G139), V110 (= V164), I138 (= I190), S140 (= S192), Y153 (= Y205), K157 (= K209), P183 (= P234), L185 (≠ W236), I186 (= I237), S188 (≠ V239), G190 (≠ H241), V191 (≠ L242)
2cfcA Structural basis for stereo selectivity in the (r)- and (s)-hydroxypropylethane thiosulfonate dehydrogenases (see paper)
33% identity, 89% coverage: 28:299/306 of query aligns to 3:248/250 of 2cfcA
- active site: G13 (= G38), S142 (= S192), Y155 (= Y205), K159 (= K209)
- binding (2-[2-ketopropylthio]ethanesulfonate: F149 (≠ E199), R152 (≠ T202), Y155 (= Y205), W195 (≠ K244), R196 (≠ H247)
- binding nicotinamide-adenine-dinucleotide: G9 (= G34), S12 (≠ Q37), G13 (= G38), N14 (≠ I39), D33 (= D58), L34 (≠ A59), A59 (≠ G109), D60 (≠ S110), V61 (= V111), N87 (= N137), A88 (= A138), G89 (= G139), I140 (= I190), P185 (= P234), G186 (= G235), M187 (≠ W236), I188 (= I237), T190 (≠ V239), P191 (≠ R240), M192 (≠ H241), T193 (≠ L242)
Q56840 2-(R)-hydroxypropyl-CoM dehydrogenase; R-HPCDH; 2-[(R)-2-hydroxypropylthio]ethanesulfonate dehydrogenase; Aliphatic epoxide carboxylation component III; Epoxide carboxylase component III; RHPCDH1; EC 1.1.1.268 from Xanthobacter autotrophicus (strain ATCC BAA-1158 / Py2) (see 4 papers)
33% identity, 89% coverage: 28:299/306 of query aligns to 3:248/250 of Q56840
- SGN 12:14 (≠ QGI 37:39) binding
- D33 (= D58) binding
- DV 60:61 (≠ SV 110:111) binding
- N87 (= N137) binding
- S142 (= S192) mutation to A: Retains weak activity. 120-fold decrease in kcat.; mutation to C: Loss of activity.
- R152 (≠ T202) binding ; mutation to A: Almost loss of activity with the natural substrate 2-KPC, but does not affect activity with 2-butanone as substrate.
- Y155 (= Y205) mutation Y->E,F: Loss of activity.
- K159 (= K209) mutation to A: Loss of activity.
- R179 (≠ P228) mutation to A: Loss of activity.
- IETPM 188:192 (≠ IEVRH 237:241) binding
- W--R 195:196 (≠ KAAH 244:247) binding
- R196 (≠ H247) mutation to A: Almost loss of activity with the natural substrate 2-KPC, but does not affect activity with 2-butanone as substrate.
- R203 (≠ T254) mutation to A: Slight decrease in catalytic efficiency.
- R209 (≠ Q260) mutation to A: Does not affect catalytic efficiency.
Sites not aligning to the query:
- 1 modified: Initiator methionine, Removed
7emgB Carbonyl reductase variant 4 (r123c/l209p/f183y/v61k) from serratia marcescens complexed with NADP+ (see paper)
31% identity, 90% coverage: 24:298/306 of query aligns to 1:240/243 of 7emgB
4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
32% identity, 90% coverage: 24:298/306 of query aligns to 2:245/247 of 4jroC
- active site: G16 (= G38), S142 (= S192), Q152 (≠ T202), Y155 (= Y205), K159 (= K209)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G34), S14 (≠ A36), R15 (≠ Q37), G16 (= G38), I17 (= I39), N35 (vs. gap), Y36 (≠ M57), N37 (≠ D58), G38 (≠ A59), S39 (≠ D60), N63 (≠ S110), V64 (= V111), N90 (= N137), A91 (= A138), I93 (= I140), I113 (≠ V164), S142 (= S192), Y155 (= Y205), K159 (= K209), P185 (= P234), I188 (= I237), T190 (≠ V239)
3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
32% identity, 89% coverage: 28:298/306 of query aligns to 5:244/246 of 3osuA
3ay6B Crystal structure of bacillus megaterium glucose dehydrogenase 4 a258f mutant in complex with nadh and d-glucose (see paper)
29% identity, 90% coverage: 25:300/306 of query aligns to 11:258/267 of 3ay6B
- active site: G24 (= G38), S151 (= S192), Y164 (= Y205), K168 (= K209)
- binding beta-D-glucopyranose: E102 (≠ A141), S151 (= S192), H153 (≠ R194), W158 (≠ E199), Y164 (= Y205), N202 (≠ K244), K205 (≠ H247)
- binding 1,4-dihydronicotinamide adenine dinucleotide: G20 (= G34), T23 (≠ Q37), G24 (= G38), L25 (≠ I39), Y45 (≠ V80), D71 (≠ S110), V72 (= V111), N98 (= N137), A99 (= A138), G100 (= G139), V101 (≠ I140), M149 (≠ I190), S151 (= S192), Y164 (= Y205), K168 (= K209), P194 (= P234), G195 (= G235), M197 (≠ I237), T199 (≠ V239), P200 (≠ R240), I201 (≠ R243), N202 (≠ K244)
6t77A Crystal structure of klebsiella pneumoniae fabg(NADPH-dependent) NADP- complex at 1.75 a resolution (see paper)
30% identity, 90% coverage: 24:298/306 of query aligns to 2:241/244 of 6t77A
- active site: G16 (= G38), S138 (= S192), Y151 (= Y205)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G34), S14 (≠ A36), R15 (≠ Q37), T37 (≠ S72), L58 (≠ G109), N59 (≠ S110), V60 (= V111), A87 (= A138), G88 (= G139), I89 (= I140)
3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
32% identity, 89% coverage: 28:298/306 of query aligns to 2:237/239 of 3sj7A
- active site: G12 (= G38), S138 (= S192), Q148 (≠ T202), Y151 (= Y205), K155 (= K209)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G34), S10 (≠ A36), R11 (≠ Q37), I13 (= I39), N31 (≠ M57), Y32 (≠ D58), A33 (= A59), G34 (≠ D60), S35 (≠ A61), A58 (≠ G109), N59 (≠ S110), V60 (= V111), N86 (= N137), A87 (= A138), T109 (≠ V164), S138 (= S192), Y151 (= Y205), K155 (= K209), P181 (= P234), G182 (= G235)
3op4A Crystal structure of putative 3-ketoacyl-(acyl-carrier-protein) reductase from vibrio cholerae o1 biovar eltor str. N16961 in complex with NADP+ (see paper)
30% identity, 90% coverage: 25:298/306 of query aligns to 6:244/247 of 3op4A
- binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G34), S17 (≠ A36), R18 (≠ Q37), I20 (= I39), T40 (≠ S72), N62 (≠ S110), V63 (= V111), N89 (= N137), A90 (= A138), I92 (= I140), V139 (≠ I190), S141 (= S192), Y154 (= Y205), K158 (= K209), P184 (= P234), G185 (= G235), I187 (= I237), T189 (≠ V239), M191 (≠ L242)
P0A2C9 3-oxoacyl-[acyl-carrier-protein] reductase FabG; 3-ketoacyl-acyl carrier protein reductase; Beta-Ketoacyl-acyl carrier protein reductase; Beta-ketoacyl-ACP reductase; EC 1.1.1.100 from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) (see paper)
30% identity, 90% coverage: 24:298/306 of query aligns to 2:241/244 of P0A2C9
- M125 (≠ L180) mutation to I: Loss of the temperature-sensitive phenotype; when associated with T-223.
- A223 (= A280) mutation to T: Loss of the temperature-sensitive phenotype; when associated with I-125.
- S224 (≠ G281) mutation to F: Distorts the local conformation and prevent stacking around Phe-221. The S224F mutation would additionally disrupt the hydrogen bond formed between Ser-224 and Glu-226.
7v0hG Crystal structure of putative glucose 1-dehydrogenase from burkholderia cenocepacia in complex with NADP and a potential reaction product
33% identity, 90% coverage: 24:298/306 of query aligns to 8:252/253 of 7v0hG
- binding nadp nicotinamide-adenine-dinucleotide phosphate: G18 (= G34), S20 (≠ A36), K21 (≠ Q37), G22 (= G38), I23 (= I39), A43 (= A85), S44 (= S86), S45 (≠ L87), G68 (= G109), D69 (≠ S110), V70 (= V111), N96 (= N137), S97 (≠ A138), G98 (= G139), Y100 (≠ A141), I144 (= I190), S146 (= S192), Y159 (= Y205), K163 (= K209), P189 (= P234), G190 (= G235), M191 (≠ W236), I192 (= I237), T194 (≠ R243), G196 (≠ A245), T197 (≠ A246)
- binding (2R)-2-(hydroxymethyl)pentanedioic acid: S146 (= S192), Y159 (= Y205), M191 (≠ W236), I202 (≠ P251)
2d1yA Crystal structure of tt0321 from thermus thermophilus hb8 (see paper)
33% identity, 90% coverage: 25:299/306 of query aligns to 3:237/240 of 2d1yA
- active site: G16 (= G38), S135 (= S192), N145 (≠ T202), Y148 (= Y205), K152 (= K209)
- binding nicotinamide-adenine-dinucleotide: G12 (= G34), R15 (≠ Q37), I17 (= I39), D36 (= D58), L37 (≠ A59), R38 (≠ D60), V55 (≠ M104), D56 (≠ S110), L57 (≠ V111), N83 (= N137), A84 (= A138), A85 (≠ G139), I86 (= I140), V133 (≠ I190), S135 (= S192), Y148 (= Y205), K152 (= K209), P178 (= P234), G179 (= G235), I181 (= I237), T183 (≠ V239), A185 (≠ H241), V186 (≠ L242)
6d9yB Crystal structure of a short chain dehydrogenase/reductase sdr from burkholderia phymatum with partially occupied NAD
30% identity, 89% coverage: 25:297/306 of query aligns to 7:247/251 of 6d9yB
- active site: G20 (= G38), S145 (= S192), Y158 (= Y205)
- binding nicotinamide-adenine-dinucleotide: G16 (= G34), R19 (≠ Q37), G20 (= G38), D40 (= D58), L41 (≠ A59), V64 (≠ H98), D65 (≠ S99), Q66 (≠ P100), A93 (= A138), S145 (= S192), Y158 (= Y205), K162 (= K209), P188 (= P234), A189 (≠ G235), A190 (≠ W236), A191 (≠ I237), T193 (≠ V239)
1nfqA Rv2002 gene product from mycobacterium tuberculosis (see paper)
33% identity, 89% coverage: 25:297/306 of query aligns to 4:236/244 of 1nfqA
- active site: G17 (= G38), S139 (= S192), Y152 (= Y205), K156 (= K209)
- binding Androsterone: L91 (≠ A141), E141 (≠ R194), C149 (≠ T202), Y152 (= Y205), V193 (vs. gap), I197 (≠ R258), F198 (≠ A259)
- binding 1,4-dihydronicotinamide adenine dinucleotide: R16 (≠ Q37), G17 (= G38), M18 (≠ I39), D37 (= D58), L39 (≠ A81), L59 (≠ G109), D60 (≠ S110), V61 (= V111), N87 (= N137), A88 (= A138), I137 (= I190), S139 (= S192), Y152 (= Y205), K156 (= K209), P182 (= P234), V185 (≠ I237), T187 (= T250), P188 (= P251), M189 (≠ V252), T190 (= T254)
1nffA Crystal structure of rv2002 gene product from mycobacterium tuberculosis (see paper)
33% identity, 89% coverage: 25:297/306 of query aligns to 4:236/244 of 1nffA
- active site: G17 (= G38), S139 (= S192), Y152 (= Y205), K156 (= K209)
- binding nicotinamide-adenine-dinucleotide: G13 (= G34), R16 (≠ Q37), G17 (= G38), M18 (≠ I39), D37 (= D58), I38 (≠ V80), L39 (≠ A81), L59 (≠ G109), D60 (≠ S110), V61 (= V111), N87 (= N137), A88 (= A138), G89 (= G139), I90 (= I140), I137 (= I190), S139 (= S192), Y152 (= Y205), K156 (= K209), P182 (= P234), V185 (≠ I237), T187 (= T250), P188 (= P251), M189 (≠ V252), T190 (= T254)
5t5qC Crystal structure of short-chain dehydrogenase/reductase sdr:glucose/ribitol dehydrogenase from brucella melitensis
32% identity, 89% coverage: 28:298/306 of query aligns to 8:242/245 of 5t5qC
- active site: G18 (= G38), S140 (= S192), N150 (≠ T202), Y153 (= Y205), K157 (= K209)
- binding nicotinamide-adenine-dinucleotide: N16 (≠ A36), G17 (≠ Q37), G18 (= G38), I19 (= I39), D38 (= D58), L39 (≠ A59), D63 (= D92), A64 (= A93), S90 (≠ N137), I113 (≠ V164), Y153 (= Y205), K157 (= K209), P182 (= P234), I185 (= I237), T187 (vs. gap), M189 (vs. gap)
Query Sequence
>8501727 DvMF_2444 short-chain dehydrogenase/reductase SDR (RefSeq)
MEHHAPPPNADSPDAARPLSAAHPLAGRVALVTGGAQGIGRGIVEHLLACGMRVAAMDAD
AEALAELAGALSAELAAEPVADNEASLPAHPDASAAPHSPTFPMLTLHGSVADQADADRC
VAATVARFGGLHLLVNNAGIANPHSGPADVAAMDMDRWQHMLDVNLTGPMRMVRAAVPHL
RAARGAVVNIASTRAVQSEPHTEAYAASKGGLVALTHALAVSLGPEVPVNCISPGWIEVR
HLRKAAHRETPVHTDADRAQHPVGRVGTVRDVAALVAFLAGDDAGFVTGQNWLVDGGMTR
RMIYEE
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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