SitesBLAST
Comparing WP_086509303.1 NCBI__GCF_002151265.1:WP_086509303.1 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)
U3KRF2 3-dehydroquinate synthase, chloroplastic; EC 4.2.3.4 from Actinidia chinensis var. chinensis (Chinese soft-hair kiwi) (see paper)
55% identity, 98% coverage: 7:369/370 of query aligns to 78:444/445 of U3KRF2
3zokA Structure of 3-dehydroquinate synthase from actinidia chinensis in complex with NAD (see paper)
55% identity, 97% coverage: 10:369/370 of query aligns to 1:364/365 of 3zokA
- active site: R122 (= R128), K144 (= K150), E186 (= E192), K228 (= K234), E238 (= E244), R242 (= R248), N246 (= N252), H249 (= H255), H253 (= H259), H266 (= H272)
- binding glycine: K144 (= K150), K228 (= K234), R242 (= R248)
- binding nicotinamide-adenine-dinucleotide: T44 (≠ A53), V45 (= V54), D73 (= D79), E75 (= E81), K78 (= K84), G106 (= G112), G107 (= G113), V108 (= V114), D111 (= D117), T131 (= T137), T132 (= T138), M134 (≠ L140), D138 (= D144), S139 (= S145), K144 (= K150), K153 (= K159), T174 (= T180), L175 (= L181), E179 (= E185), H266 (= H272)
5eksA Structure of 3-dehydroquinate synthase from acinetobacter baumannii in complex with NAD
60% identity, 95% coverage: 11:362/370 of query aligns to 3:347/355 of 5eksA
- active site: R120 (= R128), K142 (= K150), E184 (= E192), K226 (= K234), R237 (= R248), N241 (= N252), H244 (= H255), H248 (= H259), H261 (= H272)
- binding magnesium ion: E184 (= E192), H244 (= H255), H261 (= H272)
- binding nicotinamide-adenine-dinucleotide: N42 (= N51), V45 (= V54), D71 (= D79), E73 (= E81), K76 (= K84), G104 (= G112), G105 (= G113), V106 (= V114), D109 (= D117), T129 (= T137), T130 (= T138), D136 (= D144), S137 (= S145), K142 (= K150), T172 (= T180), L173 (= L181), E177 (= E185)
Q9KNV2 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
56% identity, 95% coverage: 13:362/370 of query aligns to 4:353/361 of Q9KNV2
3okfA 2.5 angstrom resolution crystal structure of 3-dehydroquinate synthase (arob) from vibrio cholerae
56% identity, 95% coverage: 13:362/370 of query aligns to 5:352/360 of 3okfA
- active site: R120 (= R128), K142 (= K150), E184 (= E192), K226 (= K234), R238 (= R248), N242 (= N252), H245 (= H255), H249 (= H259), H262 (= H272)
- binding nicotinamide-adenine-dinucleotide: N42 (= N51), L48 (≠ H57), D71 (= D79), E73 (= E81), K76 (= K84), G104 (= G112), G105 (= G113), V106 (= V114), D109 (= D117), T129 (= T137), T130 (= T138), L132 (= L140), D136 (= D144), T172 (= T180), L173 (= L181), E177 (= E185)
6llaB Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+ and NAD (see paper)
57% identity, 91% coverage: 15:349/370 of query aligns to 7:343/363 of 6llaB
- active site: R121 (= R128), K143 (= K150), E185 (= E192), K227 (= K234), E237 (= E244), R242 (= R248), N246 (= N252), H249 (= H255), H253 (= H259), H266 (= H272)
- binding magnesium ion: E185 (= E192), H249 (= H255), H266 (= H272)
- binding nicotinamide-adenine-dinucleotide: L46 (≠ V54), D72 (= D79), E74 (= E81), K77 (= K84), G105 (= G112), G106 (= G113), V107 (= V114), D110 (= D117), T130 (= T137), T131 (= T138), L133 (= L140), D137 (= D144), K143 (= K150), T173 (= T180), L174 (= L181), E178 (= E185)
6lk2A Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+, NAD and chlorogenic acid (see paper)
57% identity, 91% coverage: 15:349/370 of query aligns to 7:339/357 of 6lk2A
- active site: R121 (= R128), K143 (= K150), E185 (= E192), K227 (= K234), R238 (= R248), N242 (= N252), H245 (= H255), H249 (= H259), H262 (= H272)
- binding (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid: D137 (= D144), E185 (= E192), K227 (= K234), R238 (= R248), N242 (= N252), H245 (= H255), T246 (= T256), H249 (= H259), H262 (= H272)
- binding magnesium ion: E185 (= E192), H245 (= H255), H262 (= H272)
- binding nicotinamide-adenine-dinucleotide: L46 (≠ V54), D72 (= D79), E74 (= E81), K77 (= K84), G105 (= G112), G106 (= G113), V107 (= V114), D110 (= D117), T130 (= T137), T131 (= T138), L133 (= L140), D137 (= D144), S138 (= S145), C170 (≠ T177), T173 (= T180), L174 (= L181), P175 (= P182), E178 (= E185)
Q5NFS1 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
47% identity, 93% coverage: 21:364/370 of query aligns to 14:355/359 of Q5NFS1
5hvnA 3.0 angstrom crystal structure of 3-dehydroquinate synthase (arob) from francisella tularensis in complex with NAD.
46% identity, 93% coverage: 21:364/370 of query aligns to 17:350/354 of 5hvnA
- active site: R123 (= R128), K145 (= K150), E187 (= E192), K228 (= K234), R239 (= R248), N243 (= N252), H246 (= H255), H250 (= H259), H263 (= H272)
- binding nicotinamide-adenine-dinucleotide: N45 (= N51), L51 (≠ H57), D73 (= D79), E75 (= E81), K78 (= K84), G107 (= G112), G108 (= G113), V109 (= V114), D112 (= D117), T132 (= T137), T133 (= T138), L135 (= L140), D139 (= D144), K145 (= K150), F172 (≠ T177), T175 (= T180), L176 (= L181), E180 (= E185)
P56081 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori) (see paper)
39% identity, 95% coverage: 15:364/370 of query aligns to 6:339/343 of P56081
6hqvA Pentafunctional arom complex from chaetomium thermophilum (see paper)
41% identity, 85% coverage: 56:368/370 of query aligns to 51:392/1555 of 6hqvA
- active site: R123 (= R128), K145 (= K150), E187 (= E192), K243 (= K234), E253 (= E244), R257 (= R248), N261 (= N252), H264 (= H255), H268 (= H259), H280 (= H272)
- binding glutamic acid: D139 (= D144), K145 (= K150), E187 (= E192), K243 (= K234), R257 (= R248), H264 (= H255), H280 (= H272)
- binding nicotinamide-adenine-dinucleotide: E76 (= E81), K79 (= K84), G107 (= G112), G108 (= G113), V109 (= V114), D112 (= D117), T132 (= T137), T133 (= T138), L135 (= L140), D139 (= D144), S140 (= S145), K145 (= K150), K154 (= K159), T175 (= T180), L176 (= L181), P177 (= P182), E180 (= E185), H280 (= H272)
- binding zinc ion: E187 (= E192), H264 (= H255), H280 (= H272)
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
P9WPX9 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
41% identity, 92% coverage: 10:348/370 of query aligns to 7:340/362 of P9WPX9
1dqsA Crystal structure of dehydroquinate synthase (dhqs) complexed with carbaphosphonate, NAD+ and zn2+ (see paper)
45% identity, 73% coverage: 78:347/370 of query aligns to 75:362/381 of 1dqsA
- active site: R127 (= R128), K149 (= K150), E191 (= E192), K240 (= K234), E250 (= E244), R254 (= R248), N258 (= N252), H261 (= H255), H265 (= H259), H277 (= H272)
- binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: D143 (= D144), K149 (= K150), N159 (= N160), E191 (= E192), K240 (= K234), R254 (= R248), L257 (= L251), N258 (= N252), H261 (= H255), H265 (= H259), H277 (= H272), K346 (= K331)
- binding nicotinamide-adenine-dinucleotide: E78 (= E81), K81 (= K84), G111 (= G112), G112 (= G113), V113 (= V114), D116 (= D117), T136 (= T137), T137 (= T138), L139 (= L140), D143 (= D144), S144 (= S145), K158 (= K159), T179 (= T180), P181 (= P182), E184 (= E185), H277 (= H272)
- binding zinc ion: E191 (= E192), H261 (= H255), H277 (= H272)
Sites not aligning to the query:
6c5cA Crystal structure of the 3-dehydroquinate synthase (dhqs) domain of aro1 from candida albicans sc5314 in complex with nadh (see paper)
40% identity, 88% coverage: 24:349/370 of query aligns to 17:367/385 of 6c5cA
- active site: R130 (= R128), K152 (= K150), E194 (= E192), K246 (= K234), E254 (= E242), R258 (= R248), N262 (= N252), H265 (= H255), H269 (= H259), H281 (= H272)
- binding nicotinamide-adenine-dinucleotide: D45 (vs. gap), N47 (= N51), M48 (≠ E52), E83 (= E81), K86 (= K84), G114 (= G112), G115 (= G113), V116 (= V114), D119 (= D117), T139 (= T137), T140 (= T138), D146 (= D144), S147 (= S145), F179 (≠ T177), T182 (= T180), L183 (= L181), Q187 (≠ E185)
3qbeA Crystal structure of the 3-dehydroquinate synthase (arob) from mycobacterium tuberculosis
41% identity, 92% coverage: 10:348/370 of query aligns to 2:331/352 of 3qbeA
- active site: R117 (= R128), K139 (= K150), E181 (= E192), K223 (= K234), R233 (= R248), N237 (= N252), H240 (= H255), H244 (= H259), H256 (= H272)
- binding zinc ion: E181 (= E192), H240 (= H255), H256 (= H272)
1nvbB Crystal structure of 3-dehydroquinate synthase (dhqs) in complex with zn2+ and carbaphosphonate (see paper)
44% identity, 73% coverage: 78:347/370 of query aligns to 76:370/391 of 1nvbB
- active site: R128 (= R128), K150 (= K150), E192 (= E192), K248 (= K234), E258 (= E244), R262 (= R248), N266 (= N252), H269 (= H255), H273 (= H259), H285 (= H272)
- binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: D144 (= D144), K150 (= K150), N160 (= N160), E192 (= E192), K248 (= K234), R262 (= R248), L265 (= L251), N266 (= N252), H269 (= H255), H273 (= H259), K354 (= K331)
- binding zinc ion: E192 (= E192), H269 (= H255), H285 (= H272)
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)
44% identity, 73% coverage: 78:347/370 of query aligns to 78:372/1583 of P07547
Sites not aligning to the query:
1xagA Crystal structure of staphlyococcus aureus 3-dehydroquinate synthase (dhqs) in complex with zn2+, NAD+ and carbaphosphonate (see paper)
36% identity, 96% coverage: 13:367/370 of query aligns to 3:352/353 of 1xagA
- active site: R115 (= R128), K136 (= K150), E178 (= E192), K221 (= K234), E231 (= E244), R235 (= R248), N239 (= N252), H242 (= H255), H246 (= H259), H256 (= H272)
- binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: K136 (= K150), N146 (= N160), E178 (= E192), K221 (= K234), R235 (= R248), L238 (= L251), N239 (= N252), H242 (= H255), H246 (= H259), K314 (= K331)
- binding nicotinamide-adenine-dinucleotide: D39 (≠ N51), Y41 (≠ A53), V42 (= V54), Y45 (≠ H57), E68 (= E81), K71 (= K84), G99 (= G112), G100 (= G113), A101 (≠ V114), D104 (= D117), T124 (= T137), T125 (= T138), L127 (= L140), D130 (= D144), S131 (= S145), K136 (= K150), K145 (= K159), T166 (= T180), L167 (= L181), Q171 (≠ E185), H256 (= H272)
- binding zinc ion: E178 (= E192), H242 (= H255), H256 (= H272)
3clhA Crystal structure of 3-dehydroquinate synthase (dhqs)from helicobacter pylori (see paper)
40% identity, 80% coverage: 15:310/370 of query aligns to 3:274/308 of 3clhA
- active site: R107 (= R128), K129 (= K150), E171 (= E192), K207 (= K234), R212 (= R248), N216 (= N252), H219 (= H255), H223 (= H259), H236 (= H272)
- binding nicotinamide-adenine-dinucleotide: I33 (≠ A53), V34 (= V54), H38 (vs. gap), S58 (≠ D79), E60 (= E81), K63 (= K84), G91 (= G112), G92 (= G113), V93 (= V114), D96 (= D117), T116 (= T137), T117 (= T138), L119 (= L140), D123 (= D144), A124 (≠ S145), K129 (= K150), N139 (= N160), T159 (= T180), L160 (= L181), E164 (= E185)
Q6GGU4 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Staphylococcus aureus (strain MRSA252) (see paper)
35% identity, 96% coverage: 13:369/370 of query aligns to 3:354/354 of Q6GGU4
Query Sequence
>WP_086509303.1 NCBI__GCF_002151265.1:WP_086509303.1
MTESETSIVPRTLQVALGERSYPIHIGAGLLGDPAWLTPYLAGRQVMIVTNEAVAPHYLE
RLKAGLPSDAVVRELVLPDGEATKTLASVGLVWDALLEAGFNRRCTLIALGGGVIGDMVG
FAAACYQRGVAFIQVPTTLLSQVDSSVGGKTGVNHPLGKNMIGAFWQPRAVLIDTDTLRT
LPAKELSAGLAEVIKYGLIRDAEFLAWLEDEMTALRALQSEALAWAIERSCRLKAEIVAE
DETEQGVRALLNLGHTFGHAIEAHQGYGQWLHGEAVGVGMLMAAELSHRLGWLNAGDVER
TASIIAAAGLPLEAPADMGVEDFLTRMRLDKKNVDERLRLILLEALGRAVIHDQTPRELL
EELLATFPRH
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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