SitesBLAST
Comparing WP_012977081.1 NCBI__GCF_000010725.1:WP_012977081.1 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)
Q9KNV2 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
35% identity, 75% coverage: 94:390/397 of query aligns to 68:357/361 of Q9KNV2
Sites not aligning to the query:
6llaB Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+ and NAD (see paper)
37% identity, 74% coverage: 94:388/397 of query aligns to 70:358/363 of 6llaB
- active site: R121 (= R146), K143 (= K168), E185 (= E210), K227 (≠ H252), E237 (= E264), R242 (= R269), N246 (≠ D272), H249 (= H275), H253 (= H279), H266 (= H291)
- binding magnesium ion: E185 (= E210), H249 (= H275), H266 (= H291)
- binding nicotinamide-adenine-dinucleotide: D72 (≠ G96), E74 (= E98), K77 (= K101), G105 (= G130), G106 (= G131), V107 (≠ A132), D110 (= D135), T130 (= T155), T131 (= T156), L133 (= L158), D137 (= D162), K143 (= K168), T173 (≠ S198), L174 (= L199), E178 (≠ D203)
Sites not aligning to the query:
3okfA 2.5 angstrom resolution crystal structure of 3-dehydroquinate synthase (arob) from vibrio cholerae
34% identity, 75% coverage: 94:390/397 of query aligns to 69:356/360 of 3okfA
- active site: R120 (= R146), K142 (= K168), E184 (= E210), K226 (≠ H252), R238 (≠ A268), N242 (≠ D272), H245 (= H275), H249 (= H279), H262 (= H291)
- binding nicotinamide-adenine-dinucleotide: D71 (≠ G96), E73 (= E98), K76 (= K101), G104 (= G130), G105 (= G131), V106 (≠ A132), D109 (= D135), T129 (= T155), T130 (= T156), L132 (= L158), D136 (= D162), T172 (≠ S198), L173 (= L199), E177 (≠ D203)
Sites not aligning to the query:
6lk2A Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+, NAD and chlorogenic acid (see paper)
36% identity, 74% coverage: 94:388/397 of query aligns to 70:354/357 of 6lk2A
- active site: R121 (= R146), K143 (= K168), E185 (= E210), K227 (≠ H252), R238 (≠ A268), N242 (≠ D272), H245 (= H275), H249 (= H279), H262 (= H291)
- binding (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid: D137 (= D162), E185 (= E210), K227 (≠ H252), R238 (≠ A268), N242 (≠ D272), H245 (= H275), T246 (≠ W276), H249 (= H279), H262 (= H291)
- binding magnesium ion: E185 (= E210), H245 (= H275), H262 (= H291)
- binding nicotinamide-adenine-dinucleotide: D72 (≠ G96), E74 (= E98), K77 (= K101), G105 (= G130), G106 (= G131), V107 (≠ A132), D110 (= D135), T130 (= T155), T131 (= T156), L133 (= L158), D137 (= D162), S138 (= S163), C170 (≠ F195), T173 (≠ S198), L174 (= L199), P175 (= P200), E178 (≠ D203)
Sites not aligning to the query:
U3KRF2 3-dehydroquinate synthase, chloroplastic; EC 4.2.3.4 from Actinidia chinensis var. chinensis (Chinese soft-hair kiwi) (see paper)
38% identity, 59% coverage: 94:326/397 of query aligns to 151:381/445 of U3KRF2
Sites not aligning to the query:
3zokA Structure of 3-dehydroquinate synthase from actinidia chinensis in complex with NAD (see paper)
37% identity, 61% coverage: 85:326/397 of query aligns to 62:301/365 of 3zokA
- active site: R122 (= R146), K144 (= K168), E186 (= E210), K228 (≠ H252), E238 (= E264), R242 (≠ A268), N246 (≠ D272), H249 (= H275), H253 (= H279), H266 (= H291)
- binding glycine: K144 (= K168), K228 (≠ H252), R242 (≠ A268)
- binding nicotinamide-adenine-dinucleotide: D73 (≠ G96), E75 (= E98), K78 (= K101), G106 (= G130), G107 (= G131), V108 (≠ A132), D111 (= D135), T131 (= T155), T132 (= T156), M134 (≠ L158), D138 (= D162), S139 (= S163), K144 (= K168), K153 (= K177), T174 (≠ S198), L175 (= L199), E179 (≠ D203), H266 (= H291)
Sites not aligning to the query:
Q5NFS1 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
37% identity, 56% coverage: 94:314/397 of query aligns to 68:287/359 of Q5NFS1
Sites not aligning to the query:
5hvnA 3.0 angstrom crystal structure of 3-dehydroquinate synthase (arob) from francisella tularensis in complex with NAD.
36% identity, 56% coverage: 94:314/397 of query aligns to 71:286/354 of 5hvnA
- active site: R123 (= R146), K145 (= K168), E187 (= E210), K228 (≠ H252), R239 (≠ A268), N243 (≠ D272), H246 (= H275), H250 (= H279), H263 (= H291)
- binding nicotinamide-adenine-dinucleotide: D73 (≠ G96), E75 (= E98), K78 (= K101), G107 (= G130), G108 (= G131), V109 (≠ A132), D112 (= D135), T132 (= T155), T133 (= T156), L135 (= L158), D139 (= D162), K145 (= K168), F172 (= F195), T175 (≠ S198), L176 (= L199), E180 (≠ D203)
Sites not aligning to the query:
5eksA Structure of 3-dehydroquinate synthase from acinetobacter baumannii in complex with NAD
33% identity, 74% coverage: 94:388/397 of query aligns to 69:349/355 of 5eksA
- active site: R120 (= R146), K142 (= K168), E184 (= E210), K226 (≠ H252), R237 (≠ A268), N241 (≠ D272), H244 (= H275), H248 (= H279), H261 (= H291)
- binding magnesium ion: E184 (= E210), H244 (= H275), H261 (= H291)
- binding nicotinamide-adenine-dinucleotide: D71 (≠ G96), E73 (= E98), K76 (= K101), G104 (= G130), G105 (= G131), V106 (≠ A132), D109 (= D135), T129 (= T155), T130 (= T156), D136 (= D162), S137 (= S163), K142 (= K168), T172 (≠ S198), L173 (= L199), E177 (≠ D203)
Sites not aligning to the query:
P9WPX9 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
34% identity, 70% coverage: 94:372/397 of query aligns to 71:340/362 of P9WPX9
Sites not aligning to the query:
H2K887 2-epi-5-epi-valiolone synthase; EEVS; Sedoheptulose 7-phosphate cyclase; EC 4.2.3.152 from Streptomyces hygroscopicus subsp. jinggangensis (strain 5008) (see paper)
31% identity, 94% coverage: 24:395/397 of query aligns to 36:398/414 of H2K887
3qbeA Crystal structure of the 3-dehydroquinate synthase (arob) from mycobacterium tuberculosis
33% identity, 70% coverage: 94:372/397 of query aligns to 66:331/352 of 3qbeA
- active site: R117 (= R146), K139 (= K168), E181 (= E210), K223 (≠ H252), R233 (≠ A268), N237 (≠ D272), H240 (= H275), H244 (= H279), H256 (= H291)
- binding zinc ion: E181 (= E210), H240 (= H275), H256 (= H291)
3qbdA 3-dehydroquinate synthase (arob) from mycobacterium tuberculosis in complex with NAD
33% identity, 70% coverage: 94:372/397 of query aligns to 66:323/344 of 3qbdA
- active site: R117 (= R146), K139 (= K168), E181 (= E210), K223 (≠ H252), R232 (≠ D261), N236 (≠ D272), H239 (= H275), H243 (= H279), H255 (= H291)
- binding nicotinamide-adenine-dinucleotide: D68 (≠ G96), A69 (≠ G97), E70 (= E98), K73 (= K101), G101 (= G130), G102 (= G131), A103 (= A132), D106 (= D135), T126 (= T155), T127 (= T156), L129 (= L158), A134 (≠ S163), T169 (≠ S198), L170 (= L199)
Sites not aligning to the query:
4p53A Vala (2-epi-5-epi-valiolone synthase) from streptomyces hygroscopicus subsp. Jinggangensis 5008 with NAD+ and zn2+ bound (see paper)
33% identity, 69% coverage: 121:395/397 of query aligns to 92:360/360 of 4p53A
- active site: R117 (= R146), K139 (= K168), E181 (= E210), M225 (≠ H252), E235 (= E264), R239 (≠ A268), D243 (= D272), H246 (= H275), P250 (≠ H279), H262 (= H291)
- binding 1,4-dihydronicotinamide adenine dinucleotide: G101 (= G130), G102 (= G131), V103 (≠ A132), D106 (= D135), T126 (= T155), T127 (= T156), I129 (≠ L158), D133 (= D162), A134 (≠ S163), K148 (= K177), T169 (≠ S198), L170 (= L199), H174 (≠ D203), H262 (= H291)
- binding zinc ion: E181 (= E210), H246 (= H275), H262 (= H291)
Sites not aligning to the query:
6hqvA Pentafunctional arom complex from chaetomium thermophilum (see paper)
32% identity, 71% coverage: 94:375/397 of query aligns to 72:369/1555 of 6hqvA
- active site: R123 (= R146), K145 (= K168), E187 (= E210), K243 (≠ I256), E253 (= E264), R257 (≠ A268), N261 (≠ D272), H264 (= H275), H268 (= H279), H280 (= H291)
- binding glutamic acid: D139 (= D162), K145 (= K168), E187 (= E210), K243 (≠ I256), R257 (≠ A268), H264 (= H275), H280 (= H291)
- binding nicotinamide-adenine-dinucleotide: E76 (= E98), K79 (= K101), G107 (= G130), G108 (= G131), V109 (≠ A132), D112 (= D135), T132 (= T155), T133 (= T156), L135 (= L158), D139 (= D162), S140 (= S163), K145 (= K168), K154 (= K177), T175 (≠ S198), L176 (= L199), P177 (= P200), E180 (≠ D203), H280 (= H291)
- binding zinc ion: E187 (= E210), H264 (= H275), H280 (= H291)
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 nicotinamide-adenine-dinucleotide: 42, 44, 45
- 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
6c5cA Crystal structure of the 3-dehydroquinate synthase (dhqs) domain of aro1 from candida albicans sc5314 in complex with nadh (see paper)
36% identity, 62% coverage: 83:329/397 of query aligns to 60:319/385 of 6c5cA
- active site: R130 (= R146), K152 (= K168), E194 (= E210), K246 (≠ I256), E254 (= E264), R258 (≠ A268), N262 (≠ D272), H265 (= H275), H269 (= H279), H281 (= H291)
- binding nicotinamide-adenine-dinucleotide: E83 (= E98), K86 (= K101), G114 (= G130), G115 (= G131), V116 (≠ A132), D119 (= D135), T139 (= T155), T140 (= T156), D146 (= D162), S147 (= S163), F179 (= F195), T182 (≠ S198), L183 (= L199), Q187 (≠ D203)
Sites not aligning to the query:
P56081 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori) (see paper)
32% identity, 61% coverage: 94:336/397 of query aligns to 59:293/343 of P56081
Q9S5E2 2-deoxy-scyllo-inosose synthase; DOI synthase; DOIS; EC 4.2.3.124 from Niallia circulans (Bacillus circulans) (see paper)
29% identity, 64% coverage: 60:314/397 of query aligns to 35:285/368 of Q9S5E2
2gruA Crystal structure of 2-deoxy-scyllo-inosose synthase complexed with carbaglucose-6-phosphate, NAD+ and co2+ (see paper)
29% identity, 64% coverage: 60:314/397 of query aligns to 34:284/367 of 2gruA
- active site: R118 (= R146), K140 (= K168), E182 (= E210), K224 (≠ H252), E234 (= E264), G238 (≠ A268), E242 (≠ D272), H245 (= H275), H249 (= H279), H261 (= H291)
- binding cobalt (ii) ion: E182 (= E210), H245 (= H275), H261 (= H291)
- binding (1r,2s,3s,4r)-5-methylenecyclohexane-1,2,3,4-tetraol: D134 (= D162), E182 (= E210), K185 (= K213), K224 (≠ H252), E234 (= E264), F241 (≠ L271), H245 (= H275)
- binding nicotinamide-adenine-dinucleotide: D41 (≠ R67), G43 (≠ T69), V44 (≠ L70), P45 (= P71), E71 (= E98), K74 (= K101), G102 (= G130), G103 (= G131), L104 (≠ A132), N107 (≠ D135), T127 (= T155), T128 (= T156), S135 (= S163), S138 (≠ G166), P172 (= P200), Q175 (≠ D203)
- binding phosphate ion: K140 (= K168), N150 (= N178)
- binding sulfite ion: Y243 (≠ F273), G244 (= G274), T246 (≠ W276)
Sites not aligning to the query:
2gruB Crystal structure of 2-deoxy-scyllo-inosose synthase complexed with carbaglucose-6-phosphate, NAD+ and co2+ (see paper)
29% identity, 64% coverage: 60:314/397 of query aligns to 34:284/360 of 2gruB
- active site: R118 (= R146), K140 (= K168), E182 (= E210), K224 (≠ H252), E234 (= E264), G238 (≠ A268), E242 (≠ D272), H245 (= H275), H249 (= H279), H261 (= H291)
- binding [(1r,2r,3s,4s,5r)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate: D134 (= D162), K140 (= K168), E182 (= E210), K185 (= K213), K224 (≠ H252), E234 (= E264), F241 (≠ L271), H245 (= H275), H261 (= H291)
- binding cobalt (ii) ion: E182 (= E210), H245 (= H275), H261 (= H291)
- binding nicotinamide-adenine-dinucleotide: D41 (≠ R67), G43 (≠ T69), P45 (= P71), E71 (= E98), K74 (= K101), G102 (= G130), G103 (= G131), L104 (≠ A132), N107 (≠ D135), T127 (= T155), T128 (= T156), L130 (= L158), S135 (= S163), K149 (= K177), N150 (= N178), Q175 (≠ D203)
- binding sulfite ion: Y243 (≠ F273), G244 (= G274), T246 (≠ W276)
Sites not aligning to the query:
Query Sequence
>WP_012977081.1 NCBI__GCF_000010725.1:WP_012977081.1
MTPTLHADVRPPILRRRFAVTFEYAVAFTRNAFDPANSTLAEAMGTAGAVPRPRCLAFVD
MGVLAGRPTLPEAIAAHFAARGDLPTLVAPPRPLPGGEAVKNDPALIGQMHDAILGHGID
RHSYVLAVGGGAFLDAVGLAASTAHRGVRLVRMPTTVLAQNDSGVGVKSAINMNGAKNQI
GTFAPPWAVVNDAAFLDSLPQRDRIAGMAEAVKVALIRDGAFFDWLERSADALALFDADA
VAHLIRRCAELHMRQIAEGGDPFEQGSARPLDFGHWAAHKLETLSRNHLRHGEAVAIGIA
LDTRYSVLAGLLPEGADLRVAVLLEHLGFRLWHPALARRDGEGRPQVLAGLEEFREHLGG
RLTITLLAGIGRGIEVNTMDAALVESAIGWLSAREAA
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