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Comparing WP_050464609.1 NCBI__GCF_001189915.1:WP_050464609.1 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)
57% identity, 64% coverage: 184:544/561 of query aligns to 58:427/445 of U3KRF2
3zokA Structure of 3-dehydroquinate synthase from actinidia chinensis in complex with NAD (see paper)
60% identity, 61% coverage: 205:544/561 of query aligns to 4:347/365 of 3zokA
- active site: R122 (= R321), K144 (= K343), E186 (= E385), K228 (= K427), E238 (= E437), R242 (= R441), N246 (= N445), H249 (= H448), H253 (= H452), H266 (= H465)
- binding glycine: K144 (= K343), K228 (= K427), R242 (= R441)
- binding nicotinamide-adenine-dinucleotide: T44 (≠ I245), V45 (= V246), D73 (= D272), E75 (= E274), K78 (= K277), G106 (= G305), G107 (= G306), V108 (= V307), D111 (= D310), T131 (= T330), T132 (= T331), M134 (≠ L333), D138 (= D337), S139 (= S338), K144 (= K343), K153 (= K352), T174 (= T373), L175 (= L374), E179 (= E378), H266 (= H465)
Q9KNV2 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
53% identity, 63% coverage: 205:558/561 of query aligns to 4:358/361 of Q9KNV2
5eksA Structure of 3-dehydroquinate synthase from acinetobacter baumannii in complex with NAD
57% identity, 61% coverage: 205:544/561 of query aligns to 5:337/355 of 5eksA
- active site: R120 (= R321), K142 (= K343), E184 (= E385), K226 (= K427), R237 (= R441), N241 (= N445), H244 (= H448), H248 (= H452), H261 (= H465)
- binding magnesium ion: E184 (= E385), H244 (= H448), H261 (= H465)
- binding nicotinamide-adenine-dinucleotide: N42 (= N243), V45 (= V246), D71 (= D272), E73 (= E274), K76 (= K277), G104 (= G305), G105 (= G306), V106 (= V307), D109 (= D310), T129 (= T330), T130 (= T331), D136 (= D337), S137 (= S338), K142 (= K343), T172 (= T373), L173 (= L374), E177 (= E378)
3okfA 2.5 angstrom resolution crystal structure of 3-dehydroquinate synthase (arob) from vibrio cholerae
53% identity, 63% coverage: 205:558/561 of query aligns to 5:357/360 of 3okfA
- active site: R120 (= R321), K142 (= K343), E184 (= E385), K226 (= K427), R238 (= R441), N242 (= N445), H245 (= H448), H249 (= H452), H262 (= H465)
- binding nicotinamide-adenine-dinucleotide: N42 (= N243), L48 (= L249), D71 (= D272), E73 (= E274), K76 (= K277), G104 (= G305), G105 (= G306), V106 (= V307), D109 (= D310), T129 (= T330), T130 (= T331), L132 (= L333), D136 (= D337), T172 (= T373), L173 (= L374), E177 (= E378)
6llaB Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+ and NAD (see paper)
53% identity, 63% coverage: 207:559/561 of query aligns to 7:362/363 of 6llaB
- active site: R121 (= R321), K143 (= K343), E185 (= E385), K227 (= K427), E237 (= E437), R242 (= R441), N246 (= N445), H249 (= H448), H253 (= H452), H266 (= H465)
- binding magnesium ion: E185 (= E385), H249 (= H448), H266 (= H465)
- binding nicotinamide-adenine-dinucleotide: L46 (≠ V246), D72 (= D272), E74 (= E274), K77 (= K277), G105 (= G305), G106 (= G306), V107 (= V307), D110 (= D310), T130 (= T330), T131 (= T331), L133 (= L333), D137 (= D337), K143 (= K343), T173 (= T373), L174 (= L374), E178 (= E378)
6lk2A Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+, NAD and chlorogenic acid (see paper)
53% identity, 63% coverage: 207:558/561 of query aligns to 7:357/357 of 6lk2A
- active site: R121 (= R321), K143 (= K343), E185 (= E385), K227 (= K427), R238 (= R441), N242 (= N445), H245 (= H448), H249 (= H452), H262 (= H465)
- binding (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid: D137 (= D337), E185 (= E385), K227 (= K427), R238 (= R441), N242 (= N445), H245 (= H448), T246 (= T449), H249 (= H452), H262 (= H465)
- binding magnesium ion: E185 (= E385), H245 (= H448), H262 (= H465)
- binding nicotinamide-adenine-dinucleotide: L46 (≠ V246), D72 (= D272), E74 (= E274), K77 (= K277), G105 (= G305), G106 (= G306), V107 (= V307), D110 (= D310), T130 (= T330), T131 (= T331), L133 (= L333), D137 (= D337), S138 (= S338), C170 (≠ T370), T173 (= T373), L174 (= L374), P175 (= P375), E178 (= E378)
Q5NFS1 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
49% identity, 58% coverage: 213:540/561 of query aligns to 14:340/359 of Q5NFS1
5hvnA 3.0 angstrom crystal structure of 3-dehydroquinate synthase (arob) from francisella tularensis in complex with NAD.
48% identity, 58% coverage: 213:540/561 of query aligns to 17:335/354 of 5hvnA
- active site: R123 (= R321), K145 (= K343), E187 (= E385), K228 (= K427), R239 (= R441), N243 (= N445), H246 (= H448), H250 (= H452), H263 (= H465)
- binding nicotinamide-adenine-dinucleotide: N45 (= N243), L51 (= L249), D73 (= D272), E75 (= E274), K78 (= K277), G107 (= G305), G108 (= G306), V109 (= V307), D112 (= D310), T132 (= T330), T133 (= T331), L135 (= L333), D139 (= D337), K145 (= K343), F172 (≠ T370), T175 (= T373), L176 (= L374), E180 (= E378)
P56081 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori) (see paper)
41% identity, 62% coverage: 207:555/561 of query aligns to 6:339/343 of P56081
6hqvA Pentafunctional arom complex from chaetomium thermophilum (see paper)
43% identity, 53% coverage: 240:539/561 of query aligns to 39:365/1555 of 6hqvA
- active site: R123 (= R321), K145 (= K343), E187 (= E385), K243 (= K427), E253 (= E437), R257 (= R441), N261 (= N445), H264 (= H448), H268 (= H452), H280 (= H465)
- binding glutamic acid: D139 (= D337), K145 (= K343), E187 (= E385), K243 (= K427), R257 (= R441), H264 (= H448), H280 (= H465)
- binding nicotinamide-adenine-dinucleotide: D42 (≠ N243), N44 (≠ I245), L45 (≠ V246), E76 (= E274), K79 (= K277), G107 (= G305), G108 (= G306), V109 (= V307), D112 (= D310), T132 (= T330), T133 (= T331), L135 (= L333), D139 (= D337), S140 (= S338), K145 (= K343), K154 (= K352), T175 (= T373), L176 (= L374), P177 (= P375), E180 (= E378), H280 (= H465)
- binding zinc ion: E187 (= E385), H264 (= H448), H280 (= H465)
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
1dqsA Crystal structure of dehydroquinate synthase (dhqs) complexed with carbaphosphonate, NAD+ and zn2+ (see paper)
42% identity, 55% coverage: 240:546/561 of query aligns to 38:369/381 of 1dqsA
- active site: R127 (= R321), K149 (= K343), E191 (= E385), K240 (= K427), E250 (= E437), R254 (= R441), N258 (= N445), H261 (= H448), H265 (= H452), H277 (= H465)
- binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: D143 (= D337), K149 (= K343), N159 (= N353), E191 (= E385), K240 (= K427), R254 (= R441), L257 (= L444), N258 (= N445), H261 (= H448), H265 (= H452), H277 (= H465), K346 (= K523)
- binding nicotinamide-adenine-dinucleotide: D41 (≠ N243), N43 (≠ I245), I44 (≠ V246), E78 (= E274), K81 (= K277), G111 (= G305), G112 (= G306), V113 (= V307), D116 (= D310), T136 (= T330), T137 (= T331), L139 (= L333), D143 (= D337), S144 (= S338), K158 (= K352), T179 (= T373), P181 (= P375), E184 (= E378), H277 (= H465)
- binding zinc ion: E191 (= E385), H261 (= H448), H277 (= H465)
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)
42% identity, 55% coverage: 240:546/561 of query aligns to 41:379/1583 of P07547
1nvbB Crystal structure of 3-dehydroquinate synthase (dhqs) in complex with zn2+ and carbaphosphonate (see paper)
41% identity, 55% coverage: 240:546/561 of query aligns to 39:377/391 of 1nvbB
- active site: R128 (= R321), K150 (= K343), E192 (= E385), K248 (= K427), E258 (= E437), R262 (= R441), N266 (= N445), H269 (= H448), H273 (= H452), H285 (= H465)
- binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: D144 (= D337), K150 (= K343), N160 (= N353), E192 (= E385), K248 (= K427), R262 (= R441), L265 (= L444), N266 (= N445), H269 (= H448), H273 (= H452), K354 (= K523)
- binding zinc ion: E192 (= E385), H269 (= H448), H285 (= H465)
P9WPX9 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
44% identity, 54% coverage: 259:559/561 of query aligns to 58:359/362 of P9WPX9
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)
44% identity, 50% coverage: 259:539/561 of query aligns to 69:365/385 of 6c5cA
- active site: R130 (= R321), K152 (= K343), E194 (= E385), K246 (= K427), E254 (= E437), R258 (= R441), N262 (= N445), H265 (= H448), H269 (= H452), H281 (= H465)
- binding nicotinamide-adenine-dinucleotide: E83 (= E274), K86 (= K277), G114 (= G305), G115 (= G306), V116 (= V307), D119 (= D310), T139 (= T330), T140 (= T331), D146 (= D337), S147 (= S338), F179 (≠ T370), T182 (= T373), L183 (= L374), Q187 (≠ E378)
Sites not aligning to the query:
3clhA Crystal structure of 3-dehydroquinate synthase (dhqs)from helicobacter pylori (see paper)
42% identity, 53% coverage: 207:503/561 of query aligns to 3:274/308 of 3clhA
- active site: R107 (= R321), K129 (= K343), E171 (= E385), K207 (= K427), R212 (= R441), N216 (= N445), H219 (= H448), H223 (= H452), H236 (= H465)
- binding nicotinamide-adenine-dinucleotide: I33 (= I245), V34 (= V246), H38 (≠ Y250), S58 (≠ D272), E60 (= E274), K63 (= K277), G91 (= G305), G92 (= G306), V93 (= V307), D96 (= D310), T116 (= T330), T117 (= T331), L119 (= L333), D123 (= D337), A124 (≠ S338), K129 (= K343), N139 (= N353), T159 (= T373), L160 (= L374), E164 (= E378)
3qbeA Crystal structure of the 3-dehydroquinate synthase (arob) from mycobacterium tuberculosis
43% identity, 54% coverage: 259:559/561 of query aligns to 53:350/352 of 3qbeA
- active site: R117 (= R321), K139 (= K343), E181 (= E385), K223 (= K427), R233 (= R441), N237 (= N445), H240 (= H448), H244 (= H452), H256 (= H465)
- binding zinc ion: E181 (= E385), H240 (= H448), H256 (= H465)
3qbdA 3-dehydroquinate synthase (arob) from mycobacterium tuberculosis in complex with NAD
42% identity, 54% coverage: 259:559/561 of query aligns to 53:342/344 of 3qbdA
- active site: R117 (= R321), K139 (= K343), E181 (= E385), K223 (= K427), R232 (= R436), N236 (= N445), H239 (= H448), H243 (= H452), H255 (= H465)
- binding nicotinamide-adenine-dinucleotide: D68 (= D272), A69 (≠ G273), E70 (= E274), K73 (= K277), G101 (= G305), G102 (= G306), A103 (≠ V307), D106 (= D310), T126 (= T330), T127 (= T331), L129 (= L333), A134 (≠ S338), T169 (= T373), L170 (= L374)
Sites not aligning to the query:
1nvaA Crystal structure of 3-dehydroquinate synthase (dhqs) in complex with zn2+ and adp (see paper)
39% identity, 55% coverage: 240:546/561 of query aligns to 38:367/380 of 1nvaA
- active site: R127 (= R321), K149 (= K343), E191 (= E385), K247 (≠ E437), R257 (= R441), N261 (= N445), H264 (= H448), H268 (= H452), H280 (= H465)
- binding adenosine-5'-diphosphate: D41 (≠ N243), N43 (≠ I245), G111 (= G305), G112 (= G306), T136 (= T330), T137 (= T331), F176 (≠ T370), T179 (= T373), L180 (= L374)
- binding zinc ion: E191 (= E385), H264 (= H448), H280 (= H465)
Query Sequence
>WP_050464609.1 NCBI__GCF_001189915.1:WP_050464609.1
MSGSIFLVGLMGAGKTTIGRALAKKLNKRFIDSDHEIEARTGTTIPVIFEIEGEESFRKR
EAEIIRELSALPDVVLATGGGAILHPETRTCLKNRGTVIYLRAGINQILQRTGRDKNRPL
LQTADPRRKLEELSRQRDPYYREVAHFIVETGRPNVQFLVQAILSQLELAPNPITATPAP
ASAMTQSHFSFESTMNAAPSSAIALQVELGERSYPITIGHQLLDNPELLTRHIHGKRVAI
VTNDIVGPLYLERVSSLLRAAGKQVTEIVLPDGEGEKNWASLMKIFDVLLAEQCDRKTTL
VALGGGVIGDLTGFAAASYMRGVPFVQVPTTLLSQVDSSVGGKTGINHPLGKNMIGAFYQ
PQAVLADTATLHTLPPRELAAGLAEVIKHGAIIDAPYFDWIEANIEQLVARDNAALAYAI
KRSCEIKAEVVRQDEREGGLRAILNFGHTFGHAIENGLGYGQWLHGEAVGCGMIMAADLS
LRLGFIDAAAKARLSALVKAAGLPTMAPDLGQERWLELMQVDKKNEGGEIKFILIKPLGT
PLITHAPQEILLQTIAACIER
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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