SitesBLAST
Comparing WP_012465900.1 NCBI__GCF_000020465.1:WP_012465900.1 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)
Q5NFS1 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
44% identity, 80% coverage: 64:355/366 of query aligns to 72:359/359 of Q5NFS1
Sites not aligning to the query:
- 42 binding NAD(+)
- 70:75 binding NAD(+)
Q9KNV2 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
38% identity, 95% coverage: 10:357/366 of query aligns to 14:359/361 of Q9KNV2
5hvnA 3.0 angstrom crystal structure of 3-dehydroquinate synthase (arob) from francisella tularensis in complex with NAD.
44% identity, 80% coverage: 64:355/366 of query aligns to 75:354/354 of 5hvnA
- active site: R123 (= R111), K145 (= K133), E187 (= E175), K228 (= K217), R239 (= R232), N243 (= N236), H246 (= H239), H250 (= H243), H263 (= H256)
- binding nicotinamide-adenine-dinucleotide: E75 (= E64), K78 (= K67), G107 (= G95), G108 (= G96), V109 (= V97), D112 (= D100), T132 (= T120), T133 (= T121), L135 (= L123), D139 (= D127), K145 (= K133), F172 (= F160), T175 (= T163), L176 (= L164), E180 (= E168)
Sites not aligning to the query:
3zokA Structure of 3-dehydroquinate synthase from actinidia chinensis in complex with NAD (see paper)
38% identity, 89% coverage: 10:334/366 of query aligns to 14:340/365 of 3zokA
- active site: R122 (= R111), K144 (= K133), E186 (= E175), K228 (= K217), E238 (= E227), R242 (= R232), N246 (= N236), H249 (= H239), H253 (= H243), H266 (= H256)
- binding glycine: K144 (= K133), K228 (= K217), R242 (= R232)
- binding nicotinamide-adenine-dinucleotide: T44 (≠ N35), V45 (≠ T36), D73 (≠ A62), E75 (= E64), K78 (= K67), G106 (= G95), G107 (= G96), V108 (= V97), D111 (= D100), T131 (= T120), T132 (= T121), M134 (≠ L123), D138 (= D127), S139 (= S128), K144 (= K133), K153 (= K142), T174 (= T163), L175 (= L164), E179 (= E168), H266 (= H256)
U3KRF2 3-dehydroquinate synthase, chloroplastic; EC 4.2.3.4 from Actinidia chinensis var. chinensis (Chinese soft-hair kiwi) (see paper)
38% identity, 89% coverage: 10:334/366 of query aligns to 94:420/445 of U3KRF2
3okfA 2.5 angstrom resolution crystal structure of 3-dehydroquinate synthase (arob) from vibrio cholerae
38% identity, 95% coverage: 10:357/366 of query aligns to 15:358/360 of 3okfA
- active site: R120 (= R111), K142 (= K133), E184 (= E175), K226 (= K217), R238 (= R232), N242 (= N236), H245 (= H239), H249 (= H243), H262 (= H256)
- binding nicotinamide-adenine-dinucleotide: N42 (≠ D33), L48 (= L39), D71 (≠ A62), E73 (= E64), K76 (= K67), G104 (= G95), G105 (= G96), V106 (= V97), D109 (= D100), T129 (= T120), T130 (= T121), L132 (= L123), D136 (= D127), T172 (= T163), L173 (= L164), E177 (= E168)
6llaB Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+ and NAD (see paper)
39% identity, 93% coverage: 15:353/366 of query aligns to 19:358/363 of 6llaB
- active site: R121 (= R111), K143 (= K133), E185 (= E175), K227 (= K217), E237 (= E227), R242 (= R232), N246 (= N236), H249 (= H239), H253 (= H243), H266 (= H256)
- binding magnesium ion: E185 (= E175), H249 (= H239), H266 (= H256)
- binding nicotinamide-adenine-dinucleotide: L46 (≠ T36), D72 (≠ A62), E74 (= E64), K77 (= K67), G105 (= G95), G106 (= G96), V107 (= V97), D110 (= D100), T130 (= T120), T131 (= T121), L133 (= L123), D137 (= D127), K143 (= K133), T173 (= T163), L174 (= L164), E178 (= E168)
5eksA Structure of 3-dehydroquinate synthase from acinetobacter baumannii in complex with NAD
39% identity, 90% coverage: 22:351/366 of query aligns to 33:346/355 of 5eksA
- active site: R120 (= R111), K142 (= K133), E184 (= E175), K226 (= K217), R237 (= R232), N241 (= N236), H244 (= H239), H248 (= H243), H261 (= H256)
- binding magnesium ion: E184 (= E175), H244 (= H239), H261 (= H256)
- binding nicotinamide-adenine-dinucleotide: N42 (≠ D33), V45 (≠ T36), D71 (≠ A62), E73 (= E64), K76 (= K67), G104 (= G95), G105 (= G96), V106 (= V97), D109 (= D100), T129 (= T120), T130 (= T121), D136 (= D127), S137 (= S128), K142 (= K133), T172 (= T163), L173 (= L164), E177 (= E168)
6lk2A Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+, NAD and chlorogenic acid (see paper)
38% identity, 93% coverage: 15:353/366 of query aligns to 19:354/357 of 6lk2A
- active site: R121 (= R111), K143 (= K133), E185 (= E175), K227 (= K217), R238 (= R232), N242 (= N236), H245 (= H239), H249 (= H243), H262 (= H256)
- binding (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid: D137 (= D127), E185 (= E175), K227 (= K217), R238 (= R232), N242 (= N236), H245 (= H239), T246 (= T240), H249 (= H243), H262 (= H256)
- binding magnesium ion: E185 (= E175), H245 (= H239), H262 (= H256)
- binding nicotinamide-adenine-dinucleotide: L46 (≠ T36), D72 (≠ A62), E74 (= E64), K77 (= K67), G105 (= G95), G106 (= G96), V107 (= V97), D110 (= D100), T130 (= T120), T131 (= T121), L133 (= L123), D137 (= D127), S138 (= S128), C170 (≠ F160), T173 (= T163), L174 (= L164), P175 (= P165), E178 (= E168)
6c5cA Crystal structure of the 3-dehydroquinate synthase (dhqs) domain of aro1 from candida albicans sc5314 in complex with nadh (see paper)
39% identity, 79% coverage: 54:341/366 of query aligns to 73:371/385 of 6c5cA
- active site: R130 (= R111), K152 (= K133), E194 (= E175), K246 (= K217), E254 (≠ T228), R258 (= R232), N262 (= N236), H265 (= H239), H269 (= H243), H281 (= H256)
- binding nicotinamide-adenine-dinucleotide: E83 (= E64), K86 (= K67), G114 (= G95), G115 (= G96), V116 (= V97), D119 (= D100), T139 (= T120), T140 (= T121), D146 (= D127), S147 (= S128), F179 (= F160), T182 (= T163), L183 (= L164), Q187 (≠ E168)
Sites not aligning to the query:
P9WPX9 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
40% identity, 79% coverage: 48:335/366 of query aligns to 59:342/362 of P9WPX9
Sites not aligning to the query:
6hqvA Pentafunctional arom complex from chaetomium thermophilum (see paper)
38% identity, 88% coverage: 29:349/366 of query aligns to 38:380/1555 of 6hqvA
- active site: R123 (= R111), K145 (= K133), E187 (= E175), K243 (= K217), E253 (= E227), R257 (= R232), N261 (= N236), H264 (= H239), H268 (= H243), H280 (= H256)
- binding glutamic acid: D139 (= D127), K145 (= K133), E187 (= E175), K243 (= K217), R257 (= R232), H264 (= H239), H280 (= H256)
- binding nicotinamide-adenine-dinucleotide: D42 (= D33), N44 (= N35), L45 (≠ T36), E76 (= E64), K79 (= K67), G107 (= G95), G108 (= G96), V109 (= V97), D112 (= D100), T132 (= T120), T133 (= T121), L135 (= L123), D139 (= D127), S140 (= S128), K145 (= K133), K154 (= K142), T175 (= T163), L176 (= L164), P177 (= P165), E180 (= E168), H280 (= H256)
- binding zinc ion: E187 (= E175), H264 (= H239), H280 (= H256)
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
P56081 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori) (see paper)
35% identity, 91% coverage: 24:355/366 of query aligns to 25:341/343 of P56081
3qbeA Crystal structure of the 3-dehydroquinate synthase (arob) from mycobacterium tuberculosis
39% identity, 79% coverage: 48:335/366 of query aligns to 54:333/352 of 3qbeA
- active site: R117 (= R111), K139 (= K133), E181 (= E175), K223 (= K217), R233 (= R232), N237 (= N236), H240 (= H239), H244 (= H243), H256 (= H256)
- binding zinc ion: E181 (= E175), H240 (= H239), H256 (= H256)
3qbdA 3-dehydroquinate synthase (arob) from mycobacterium tuberculosis in complex with NAD
37% identity, 79% coverage: 48:335/366 of query aligns to 54:325/344 of 3qbdA
- active site: R117 (= R111), K139 (= K133), E181 (= E175), K223 (= K217), R232 (= R226), N236 (= N236), H239 (= H239), H243 (= H243), H255 (= H256)
- binding nicotinamide-adenine-dinucleotide: D68 (≠ A62), A69 (≠ R63), E70 (= E64), K73 (= K67), G101 (= G95), G102 (= G96), A103 (≠ V97), D106 (= D100), T126 (= T120), T127 (= T121), L129 (= L123), A134 (≠ S128), T169 (= T163), L170 (= L164)
Sites not aligning to the query:
Q6GGU4 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Staphylococcus aureus (strain MRSA252) (see paper)
32% identity, 91% coverage: 27:359/366 of query aligns to 33:352/354 of Q6GGU4
- D39 (= D33) binding NAD(+)
- Y45 (≠ L39) binding NAD(+)
- EKTK 68:71 (≠ ETSK 64:67) binding NAD(+)
- GATGD 100:104 (≠ GVVGD 96:100) binding NAD(+)
- TT 124:125 (= TT 120:121) binding NAD(+)
- K136 (= K133) binding NAD(+)
- K145 (= K142) binding NAD(+)
- FLKT 163:166 (≠ FLRT 160:163) binding NAD(+)
- E178 (= E175) binding Zn(2+)
- H242 (= H239) binding Zn(2+)
- H256 (= H256) binding Zn(2+)
1dqsA Crystal structure of dehydroquinate synthase (dhqs) complexed with carbaphosphonate, NAD+ and zn2+ (see paper)
39% identity, 82% coverage: 54:353/366 of query aligns to 68:380/381 of 1dqsA
- active site: R127 (= R111), K149 (= K133), E191 (= E175), K240 (= K217), E250 (= E227), R254 (= R232), N258 (= N236), H261 (= H239), H265 (= H243), H277 (= H256)
- binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: D143 (= D127), K149 (= K133), N159 (= N143), E191 (= E175), K240 (= K217), R254 (= R232), L257 (= L235), N258 (= N236), H261 (= H239), H265 (= H243), H277 (= H256), K346 (= K319)
- binding nicotinamide-adenine-dinucleotide: E78 (= E64), K81 (= K67), G111 (= G95), G112 (= G96), V113 (= V97), D116 (= D100), T136 (= T120), T137 (= T121), L139 (= L123), D143 (= D127), S144 (= S128), K158 (= K142), T179 (= T163), P181 (= P165), E184 (= E168), H277 (= H256)
- binding zinc ion: E191 (= E175), H261 (= H239), H277 (= H256)
Sites not aligning to the query:
3clhA Crystal structure of 3-dehydroquinate synthase (dhqs)from helicobacter pylori (see paper)
37% identity, 75% coverage: 24:298/366 of query aligns to 22:286/308 of 3clhA
- active site: R107 (= R111), K129 (= K133), E171 (= E175), K207 (= K217), R212 (= R232), N216 (= N236), H219 (= H239), H223 (= H243), H236 (= H256)
- binding nicotinamide-adenine-dinucleotide: I33 (≠ N35), V34 (≠ T36), H38 (≠ F40), S58 (≠ A62), E60 (= E64), K63 (= K67), G91 (= G95), G92 (= G96), V93 (= V97), D96 (= D100), T116 (= T120), T117 (= T121), L119 (= L123), D123 (= D127), A124 (≠ S128), K129 (= K133), N139 (= N143), T159 (= T163), L160 (= L164), E164 (= E168)
1xagA Crystal structure of staphlyococcus aureus 3-dehydroquinate synthase (dhqs) in complex with zn2+, NAD+ and carbaphosphonate (see paper)
32% identity, 91% coverage: 27:359/366 of query aligns to 33:352/353 of 1xagA
- active site: R115 (= R111), K136 (= K133), E178 (= E175), K221 (= K217), E231 (= E227), R235 (= R232), N239 (= N236), H242 (= H239), H246 (= H243), H256 (= H256)
- binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: K136 (= K133), N146 (= N143), E178 (= E175), K221 (= K217), R235 (= R232), L238 (= L235), N239 (= N236), H242 (= H239), H246 (= H243), K314 (= K319)
- binding nicotinamide-adenine-dinucleotide: D39 (= D33), Y41 (≠ N35), V42 (≠ T36), Y45 (≠ L39), E68 (= E64), K71 (= K67), G99 (= G95), G100 (= G96), A101 (≠ V97), D104 (= D100), T124 (= T120), T125 (= T121), L127 (= L123), D130 (= D127), S131 (= S128), K136 (= K133), K145 (= K142), T166 (= T163), L167 (= L164), Q171 (≠ E168), H256 (= H256)
- binding zinc ion: E178 (= E175), H242 (= H239), H256 (= H256)
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)
38% identity, 82% coverage: 54:353/366 of query aligns to 71:390/1583 of P07547
- EVSK 81:84 (≠ ETSK 64:67) binding NAD(+)
- GGV 114:116 (= GGV 95:97) binding NAD(+)
- D119 (= D100) binding NAD(+)
- TT 139:140 (= TT 120:121) binding NAD(+)
- K161 (= K142) binding NAD(+)
- FLET 179:182 (≠ FLRT 160:163) binding NAD(+)
- N190 (≠ A171) binding NAD(+)
- E194 (= E175) binding Zn(2+)
- H271 (= H239) binding Zn(2+)
- H287 (= H256) binding Zn(2+)
Sites not aligning to the query:
Query Sequence
>WP_012465900.1 NCBI__GCF_000020465.1:WP_012465900.1
MSSTIIVNTPVLSGAGALYRKHGLTAKTVVIFDENTRNLFRDQVIATLEAEGFRLLELTV
PARETSKSLNAAYRLYATMIEAGVDRSWNLLAVGGGVVGDLGGFIAASYYRGIPVVQCPT
TLLAMTDSAIGGKVAINHPLGKNLIGFFHMPELVLIDPSFLRTLPEREIFAGMAEVVKYG
FIADRTFLDWLEEHFDRITALEEPFLTEAVRRSASIKADVVEKDFRETTGLRATLNFGHT
FAHGLEKLAEYRYLRHGEAVTLGMICALWLSHGLGYLSEKDLQGGLDLLARFRFPKGVIK
RRFLAHSSEALLENMFSDKKKLDSKLRFVLLKKPGEAFLLEENVDDREVLKAIERARAFV
ATAAKH
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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