SitesBLAST
Comparing WP_013834642.1 NCBI__GCF_000214825.1:WP_013834642.1 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)
U3KRF2 3-dehydroquinate synthase, chloroplastic; EC 4.2.3.4 from Actinidia chinensis var. chinensis (Chinese soft-hair kiwi) (see paper)
58% identity, 97% coverage: 6:354/359 of query aligns to 86:439/445 of U3KRF2
3zokA Structure of 3-dehydroquinate synthase from actinidia chinensis in complex with NAD (see paper)
58% identity, 97% coverage: 6:354/359 of query aligns to 6:359/365 of 3zokA
- active site: R122 (= R118), K144 (= K140), E186 (= E182), K228 (= K224), E238 (= E234), R242 (= R238), N246 (= N242), H249 (= H245), H253 (= H249), H266 (= H262)
- binding glycine: K144 (= K140), K228 (= K224), R242 (= R238)
- binding nicotinamide-adenine-dinucleotide: T44 (= T44), V45 (= V45), D73 (= D69), E75 (= E71), K78 (= K74), G106 (= G102), G107 (= G103), V108 (= V104), D111 (= D107), T131 (= T127), T132 (= T128), M134 (≠ L130), D138 (= D134), S139 (= S135), K144 (= K140), K153 (= K149), T174 (= T170), L175 (= L171), E179 (≠ Q175), H266 (= H262)
5eksA Structure of 3-dehydroquinate synthase from acinetobacter baumannii in complex with NAD
58% identity, 99% coverage: 1:354/359 of query aligns to 2:349/355 of 5eksA
- active site: R120 (= R118), K142 (= K140), E184 (= E182), K226 (= K224), R237 (= R238), N241 (= N242), H244 (= H245), H248 (= H249), H261 (= H262)
- binding magnesium ion: E184 (= E182), H244 (= H245), H261 (= H262)
- binding nicotinamide-adenine-dinucleotide: N42 (= N42), V45 (= V45), D71 (= D69), E73 (= E71), K76 (= K74), G104 (= G102), G105 (= G103), V106 (= V104), D109 (= D107), T129 (= T127), T130 (= T128), D136 (= D134), S137 (= S135), K142 (= K140), T172 (= T170), L173 (= L171), E177 (≠ Q175)
Q9KNV2 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
56% identity, 100% coverage: 1:359/359 of query aligns to 1:360/361 of Q9KNV2
6llaB Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+ and NAD (see paper)
55% identity, 99% coverage: 1:355/359 of query aligns to 2:359/363 of 6llaB
- active site: R121 (= R118), K143 (= K140), E185 (= E182), K227 (= K224), E237 (= E234), R242 (= R238), N246 (= N242), H249 (= H245), H253 (= H249), H266 (= H262)
- binding magnesium ion: E185 (= E182), H249 (= H245), H266 (= H262)
- binding nicotinamide-adenine-dinucleotide: L46 (≠ V45), D72 (= D69), E74 (= E71), K77 (= K74), G105 (= G102), G106 (= G103), V107 (= V104), D110 (= D107), T130 (= T127), T131 (= T128), L133 (= L130), D137 (= D134), K143 (= K140), T173 (= T170), L174 (= L171), E178 (≠ Q175)
3okfA 2.5 angstrom resolution crystal structure of 3-dehydroquinate synthase (arob) from vibrio cholerae
55% identity, 100% coverage: 1:359/359 of query aligns to 2:359/360 of 3okfA
- active site: R120 (= R118), K142 (= K140), E184 (= E182), K226 (= K224), R238 (= R238), N242 (= N242), H245 (= H245), H249 (= H249), H262 (= H262)
- binding nicotinamide-adenine-dinucleotide: N42 (= N42), L48 (= L48), D71 (= D69), E73 (= E71), K76 (= K74), G104 (= G102), G105 (= G103), V106 (= V104), D109 (= D107), T129 (= T127), T130 (= T128), L132 (= L130), D136 (= D134), T172 (= T170), L173 (= L171), E177 (≠ Q175)
6lk2A Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+, NAD and chlorogenic acid (see paper)
55% identity, 99% coverage: 1:355/359 of query aligns to 2:355/357 of 6lk2A
- active site: R121 (= R118), K143 (= K140), E185 (= E182), K227 (= K224), R238 (= R238), N242 (= N242), H245 (= H245), H249 (= H249), H262 (= H262)
- binding (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid: D137 (= D134), E185 (= E182), K227 (= K224), R238 (= R238), N242 (= N242), H245 (= H245), T246 (= T246), H249 (= H249), H262 (= H262)
- binding magnesium ion: E185 (= E182), H245 (= H245), H262 (= H262)
- binding nicotinamide-adenine-dinucleotide: L46 (≠ V45), D72 (= D69), E74 (= E71), K77 (= K74), G105 (= G102), G106 (= G103), V107 (= V104), D110 (= D107), T130 (= T127), T131 (= T128), L133 (= L130), D137 (= D134), S138 (= S135), C170 (≠ T167), T173 (= T170), L174 (= L171), P175 (≠ E172), E178 (≠ Q175)
Q5NFS1 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
47% identity, 90% coverage: 28:351/359 of query aligns to 28:353/359 of Q5NFS1
5hvnA 3.0 angstrom crystal structure of 3-dehydroquinate synthase (arob) from francisella tularensis in complex with NAD.
47% identity, 90% coverage: 28:351/359 of query aligns to 31:348/354 of 5hvnA
- active site: R123 (= R118), K145 (= K140), E187 (= E182), K228 (= K224), R239 (= R238), N243 (= N242), H246 (= H245), H250 (= H249), H263 (= H262)
- binding nicotinamide-adenine-dinucleotide: N45 (= N42), L51 (= L48), D73 (= D69), E75 (= E71), K78 (= K74), G107 (= G102), G108 (= G103), V109 (= V104), D112 (= D107), T132 (= T127), T133 (= T128), L135 (= L130), D139 (= D134), K145 (= K140), F172 (≠ T167), T175 (= T170), L176 (= L171), E180 (≠ Q175)
P56081 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori) (see paper)
41% identity, 99% coverage: 1:357/359 of query aligns to 1:342/343 of P56081
3clhA Crystal structure of 3-dehydroquinate synthase (dhqs)from helicobacter pylori (see paper)
39% identity, 99% coverage: 4:358/359 of query aligns to 1:308/308 of 3clhA
- active site: R107 (= R118), K129 (= K140), E171 (= E182), K207 (= K224), R212 (= R238), N216 (= N242), H219 (= H245), H223 (= H249), H236 (= H262)
- binding nicotinamide-adenine-dinucleotide: I33 (≠ T44), V34 (= V45), H38 (vs. gap), S58 (≠ D69), E60 (= E71), K63 (= K74), G91 (= G102), G92 (= G103), V93 (= V104), D96 (= D107), T116 (= T127), T117 (= T128), L119 (= L130), D123 (= D134), A124 (≠ S135), K129 (= K140), N139 (= N150), T159 (= T170), L160 (= L171), E164 (≠ Q175)
P9WPX9 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
43% identity, 76% coverage: 67:338/359 of query aligns to 71:340/362 of P9WPX9
Sites not aligning to the query:
6hqvA Pentafunctional arom complex from chaetomium thermophilum (see paper)
36% identity, 91% coverage: 16:340/359 of query aligns to 23:368/1555 of 6hqvA
- active site: R123 (= R118), K145 (= K140), E187 (= E182), K243 (= K224), E253 (= E234), R257 (= R238), N261 (= N242), H264 (= H245), H268 (= H249), H280 (= H262)
- binding glutamic acid: D139 (= D134), K145 (= K140), E187 (= E182), K243 (= K224), R257 (= R238), H264 (= H245), H280 (= H262)
- binding nicotinamide-adenine-dinucleotide: D42 (≠ N42), N44 (≠ T44), L45 (≠ V45), E76 (= E71), K79 (= K74), G107 (= G102), G108 (= G103), V109 (= V104), D112 (= D107), T132 (= T127), T133 (= T128), L135 (= L130), D139 (= D134), S140 (= S135), K145 (= K140), K154 (= K149), T175 (= T170), L176 (= L171), P177 (≠ E172), E180 (≠ Q175), H280 (= H262)
- binding zinc ion: E187 (= E182), H264 (= H245), H280 (= H262)
Sites not aligning to the query:
- binding (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid: 1060, 1062, 1181, 1224, 1232, 1242, 1243
- binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: 413, 562, 563, 874, 923, 924, 979, 1277, 1279, 1323, 1327, 1348, 1368, 1526
3qbeA Crystal structure of the 3-dehydroquinate synthase (arob) from mycobacterium tuberculosis
42% identity, 76% coverage: 67:338/359 of query aligns to 66:331/352 of 3qbeA
- active site: R117 (= R118), K139 (= K140), E181 (= E182), K223 (= K224), R233 (= R238), N237 (= N242), H240 (= H245), H244 (= H249), H256 (= H262)
- binding zinc ion: E181 (= E182), H240 (= H245), H256 (= H262)
1dqsA Crystal structure of dehydroquinate synthase (dhqs) complexed with carbaphosphonate, NAD+ and zn2+ (see paper)
36% identity, 91% coverage: 16:340/359 of query aligns to 22:365/381 of 1dqsA
- active site: R127 (= R118), K149 (= K140), E191 (= E182), K240 (= K224), E250 (= E234), R254 (= R238), N258 (= N242), H261 (= H245), H265 (= H249), H277 (= H262)
- binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: D143 (= D134), K149 (= K140), N159 (= N150), E191 (= E182), K240 (= K224), R254 (= R238), L257 (= L241), N258 (= N242), H261 (= H245), H265 (= H249), H277 (= H262), K346 (= K321)
- binding nicotinamide-adenine-dinucleotide: D41 (≠ N42), N43 (≠ T44), I44 (≠ V45), E78 (= E71), K81 (= K74), G111 (= G102), G112 (= G103), V113 (= V104), D116 (= D107), T136 (= T127), T137 (= T128), L139 (= L130), D143 (= D134), S144 (= S135), K158 (= K149), T179 (= T170), P181 (≠ E172), E184 (≠ Q175), H277 (= H262)
- binding zinc ion: E191 (= E182), H261 (= H245), H277 (= H262)
Q6GGU4 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Staphylococcus aureus (strain MRSA252) (see paper)
35% identity, 91% coverage: 11:337/359 of query aligns to 10:330/354 of Q6GGU4
- D39 (≠ N42) binding NAD(+)
- Y45 (≠ L48) binding NAD(+)
- EKTK 68:71 (≠ EEYK 71:74) binding NAD(+)
- GATGD 100:104 (≠ GVIGD 103:107) binding NAD(+)
- TT 124:125 (= TT 127:128) binding NAD(+)
- K136 (= K140) binding NAD(+)
- K145 (= K149) binding NAD(+)
- FLKT 163:166 (≠ TLNT 167:170) binding NAD(+)
- E178 (= E182) binding Zn(2+)
- H242 (= H245) binding Zn(2+)
- H256 (= H262) binding Zn(2+)
1nvbB Crystal structure of 3-dehydroquinate synthase (dhqs) in complex with zn2+ and carbaphosphonate (see paper)
35% identity, 91% coverage: 16:340/359 of query aligns to 23:373/391 of 1nvbB
- active site: R128 (= R118), K150 (= K140), E192 (= E182), K248 (= K224), E258 (= E234), R262 (= R238), N266 (= N242), H269 (= H245), H273 (= H249), H285 (= H262)
- binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: D144 (= D134), K150 (= K140), N160 (= N150), E192 (= E182), K248 (= K224), R262 (= R238), L265 (= L241), N266 (= N242), H269 (= H245), H273 (= H249), K354 (= K321)
- binding zinc ion: E192 (= E182), H269 (= H245), H285 (= H262)
1xagA Crystal structure of staphlyococcus aureus 3-dehydroquinate synthase (dhqs) in complex with zn2+, NAD+ and carbaphosphonate (see paper)
34% identity, 91% coverage: 11:337/359 of query aligns to 10:330/353 of 1xagA
- active site: R115 (= R118), K136 (= K140), E178 (= E182), K221 (= K224), E231 (= E234), R235 (= R238), N239 (= N242), H242 (= H245), H246 (= H249), H256 (= H262)
- binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: K136 (= K140), N146 (= N150), E178 (= E182), K221 (= K224), R235 (= R238), L238 (= L241), N239 (= N242), H242 (= H245), H246 (= H249), K314 (= K321)
- binding nicotinamide-adenine-dinucleotide: D39 (≠ N42), Y41 (≠ T44), V42 (= V45), Y45 (≠ L48), E68 (= E71), K71 (= K74), G99 (= G102), G100 (= G103), A101 (≠ V104), D104 (= D107), T124 (= T127), T125 (= T128), L127 (= L130), D130 (= D134), S131 (= S135), K136 (= K140), K145 (= K149), T166 (= T170), L167 (= L171), Q171 (= Q175), H256 (= H262)
- binding zinc ion: E178 (= E182), H242 (= H245), H256 (= H262)
P07547 Pentafunctional AROM polypeptide; EC 4.2.3.4; EC 2.5.1.19; EC 2.7.1.71; EC 4.2.1.10; EC 1.1.1.25 from Emericella nidulans (strain FGSC A4 / ATCC 38163 / CBS 112.46 / NRRL 194 / M139) (Aspergillus nidulans) (see 2 papers)
35% identity, 91% coverage: 16:340/359 of query aligns to 25:375/1583 of P07547
6c5cA Crystal structure of the 3-dehydroquinate synthase (dhqs) domain of aro1 from candida albicans sc5314 in complex with nadh (see paper)
40% identity, 75% coverage: 70:340/359 of query aligns to 82:368/385 of 6c5cA
- active site: R130 (= R118), K152 (= K140), E194 (= E182), K246 (= K224), E254 (= E232), R258 (= R238), N262 (= N242), H265 (= H245), H269 (= H249), H281 (= H262)
- binding nicotinamide-adenine-dinucleotide: E83 (= E71), K86 (= K74), G114 (= G102), G115 (= G103), V116 (= V104), D119 (= D107), T139 (= T127), T140 (= T128), D146 (= D134), S147 (= S135), F179 (≠ T167), T182 (= T170), L183 (= L171), Q187 (= Q175)
Sites not aligning to the query:
Query Sequence
>WP_013834642.1 NCBI__GCF_000214825.1:WP_013834642.1
MITLTVDLAERSYPIFIGQDLLQQPGLVAPFVKGTQVMIVTNSTVAPLYLDRAKALFTDL
QVDAVVLPDGEEYKNLEILNRIFDQLIGGHFDRKSTLVALGGGVIGDMTGFAAAAYQRGV
PFIQIPTTLLSQVDSSVGGKTGVNHPQGKNMIGAFHQPQAVVIDTLTLNTLEDRQLSAGL
AEVIKYGLIRDLAFFEWLEQNLEGLMARDHALLAQAIERSCQNKADIVAADETEQGQRAL
LNLGHTFGHAIEAGMGYGAWLHGEAISAGMMQAAYMSQLLGDLSAADVERIGAIFKRAKL
PIYPPNELSNEQFMHYMAGDKKVQAGKVRLVLLKSIGQAYISGDYPAELLQKTLTEWRS
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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