SitesBLAST
Comparing WP_011950860.1 NCBI__GCF_000016765.1:WP_011950860.1 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)
6llaB Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+ and NAD (see paper)
47% identity, 98% coverage: 3:363/369 of query aligns to 5:360/363 of 6llaB
- active site: R121 (= R120), K143 (= K142), E185 (= E184), K227 (= K226), E237 (= E236), R242 (= R241), N246 (= N245), H249 (= H248), H253 (= H252), H266 (= H266)
- binding magnesium ion: E185 (= E184), H249 (= H248), H266 (= H266)
- binding nicotinamide-adenine-dinucleotide: L46 (≠ I45), D72 (≠ P71), E74 (= E73), K77 (= K76), G105 (= G104), G106 (= G105), V107 (= V106), D110 (= D109), T130 (= T129), T131 (= T130), L133 (= L132), D137 (= D136), K143 (= K142), T173 (= T172), L174 (= L173), E178 (= E177)
Q9KNV2 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
45% identity, 99% coverage: 3:366/369 of query aligns to 4:360/361 of Q9KNV2
3okfA 2.5 angstrom resolution crystal structure of 3-dehydroquinate synthase (arob) from vibrio cholerae
44% identity, 99% coverage: 3:366/369 of query aligns to 5:359/360 of 3okfA
- active site: R120 (= R120), K142 (= K142), E184 (= E184), K226 (= K226), R238 (= R241), N242 (= N245), H245 (= H248), H249 (= H252), H262 (= H266)
- binding nicotinamide-adenine-dinucleotide: N42 (≠ D42), L48 (≠ N48), D71 (≠ P71), E73 (= E73), K76 (= K76), G104 (= G104), G105 (= G105), V106 (= V106), D109 (= D109), T129 (= T129), T130 (= T130), L132 (= L132), D136 (= D136), T172 (= T172), L173 (= L173), E177 (= E177)
U3KRF2 3-dehydroquinate synthase, chloroplastic; EC 4.2.3.4 from Actinidia chinensis var. chinensis (Chinese soft-hair kiwi) (see paper)
47% identity, 98% coverage: 3:363/369 of query aligns to 84:441/445 of U3KRF2
3zokA Structure of 3-dehydroquinate synthase from actinidia chinensis in complex with NAD (see paper)
47% identity, 98% coverage: 3:363/369 of query aligns to 4:361/365 of 3zokA
- active site: R122 (= R120), K144 (= K142), E186 (= E184), K228 (= K226), E238 (= E236), R242 (= R241), N246 (= N245), H249 (= H248), H253 (= H252), H266 (= H266)
- binding glycine: K144 (= K142), K228 (= K226), R242 (= R241)
- binding nicotinamide-adenine-dinucleotide: T44 (≠ N44), V45 (≠ I45), D73 (≠ P71), E75 (= E73), K78 (= K76), G106 (= G104), G107 (= G105), V108 (= V106), D111 (= D109), T131 (= T129), T132 (= T130), M134 (≠ L132), D138 (= D136), S139 (= S137), K144 (= K142), K153 (= K151), T174 (= T172), L175 (= L173), E179 (= E177), H266 (= H266)
6lk2A Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+, NAD and chlorogenic acid (see paper)
47% identity, 98% coverage: 3:363/369 of query aligns to 5:356/357 of 6lk2A
- active site: R121 (= R120), K143 (= K142), E185 (= E184), K227 (= K226), R238 (= R241), N242 (= N245), H245 (= H248), H249 (= H252), H262 (= H266)
- binding (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid: D137 (= D136), E185 (= E184), K227 (= K226), R238 (= R241), N242 (= N245), H245 (= H248), T246 (= T249), H249 (= H252), H262 (= H266)
- binding magnesium ion: E185 (= E184), H245 (= H248), H262 (= H266)
- binding nicotinamide-adenine-dinucleotide: L46 (≠ I45), D72 (≠ P71), E74 (= E73), K77 (= K76), G105 (= G104), G106 (= G105), V107 (= V106), D110 (= D109), T130 (= T129), T131 (= T130), L133 (= L132), D137 (= D136), S138 (= S137), C170 (≠ T169), T173 (= T172), L174 (= L173), P175 (= P174), E178 (= E177)
5eksA Structure of 3-dehydroquinate synthase from acinetobacter baumannii in complex with NAD
45% identity, 96% coverage: 2:354/369 of query aligns to 4:342/355 of 5eksA
- active site: R120 (= R120), K142 (= K142), E184 (= E184), K226 (= K226), R237 (= R241), N241 (= N245), H244 (= H248), H248 (= H252), H261 (= H266)
- binding magnesium ion: E184 (= E184), H244 (= H248), H261 (= H266)
- binding nicotinamide-adenine-dinucleotide: N42 (≠ D42), V45 (≠ I45), D71 (≠ P71), E73 (= E73), K76 (= K76), G104 (= G104), G105 (= G105), V106 (= V106), D109 (= D109), T129 (= T129), T130 (= T130), D136 (= D136), S137 (= S137), K142 (= K142), T172 (= T172), L173 (= L173), E177 (= E177)
Q5NFS1 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
42% identity, 96% coverage: 11:365/369 of query aligns to 14:359/359 of Q5NFS1
5hvnA 3.0 angstrom crystal structure of 3-dehydroquinate synthase (arob) from francisella tularensis in complex with NAD.
41% identity, 96% coverage: 11:365/369 of query aligns to 17:354/354 of 5hvnA
- active site: R123 (= R120), K145 (= K142), E187 (= E184), K228 (= K226), R239 (= R241), N243 (= N245), H246 (= H248), H250 (= H252), H263 (= H266)
- binding nicotinamide-adenine-dinucleotide: N45 (≠ D42), L51 (≠ N48), D73 (≠ P71), E75 (= E73), K78 (= K76), G107 (= G104), G108 (= G105), V109 (= V106), D112 (= D109), T132 (= T129), T133 (= T130), L135 (= L132), D139 (= D136), K145 (= K142), F172 (≠ T169), T175 (= T172), L176 (= L173), E180 (= E177)
6hqvA Pentafunctional arom complex from chaetomium thermophilum (see paper)
38% identity, 92% coverage: 13:350/369 of query aligns to 12:371/1555 of 6hqvA
- active site: R123 (= R120), K145 (= K142), E187 (= E184), K243 (= K226), E253 (= E236), R257 (= R241), N261 (= N245), H264 (= H248), H268 (= H252), H280 (= H266)
- binding glutamic acid: D139 (= D136), K145 (= K142), E187 (= E184), K243 (= K226), R257 (= R241), H264 (= H248), H280 (= H266)
- binding nicotinamide-adenine-dinucleotide: D42 (= D42), N44 (= N44), L45 (≠ I45), E76 (= E73), K79 (= K76), G107 (= G104), G108 (= G105), V109 (= V106), D112 (= D109), T132 (= T129), T133 (= T130), L135 (= L132), D139 (= D136), S140 (= S137), K145 (= K142), K154 (= K151), T175 (= T172), L176 (= L173), P177 (= P174), E180 (= E177), H280 (= H266)
- binding zinc ion: E187 (= E184), H264 (= H248), H280 (= H266)
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)
39% identity, 76% coverage: 66:344/369 of query aligns to 56:322/343 of P56081
1dqsA Crystal structure of dehydroquinate synthase (dhqs) complexed with carbaphosphonate, NAD+ and zn2+ (see paper)
40% identity, 84% coverage: 37:347/369 of query aligns to 36:365/381 of 1dqsA
- active site: R127 (= R120), K149 (= K142), E191 (= E184), K240 (= K226), E250 (= E236), R254 (= R241), N258 (= N245), H261 (= H248), H265 (= H252), H277 (= H266)
- binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: D143 (= D136), K149 (= K142), N159 (= N152), E191 (= E184), K240 (= K226), R254 (= R241), L257 (= L244), N258 (= N245), H261 (= H248), H265 (= H252), H277 (= H266), K346 (= K328)
- binding nicotinamide-adenine-dinucleotide: D41 (= D42), N43 (= N44), I44 (= I45), E78 (= E73), K81 (= K76), G111 (= G104), G112 (= G105), V113 (= V106), D116 (= D109), T136 (= T129), T137 (= T130), L139 (= L132), D143 (= D136), S144 (= S137), K158 (= K151), T179 (= T172), P181 (= P174), E184 (= E177), H277 (= H266)
- binding zinc ion: E191 (= E184), H261 (= H248), H277 (= H266)
Q6GGU4 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Staphylococcus aureus (strain MRSA252) (see paper)
35% identity, 93% coverage: 1:345/369 of query aligns to 1:331/354 of Q6GGU4
- D39 (≠ T41) binding NAD(+)
- Y45 (≠ L50) binding NAD(+)
- EKTK 68:71 (≠ ESTK 73:76) binding NAD(+)
- GATGD 100:104 (≠ GVIGD 105:109) binding NAD(+)
- TT 124:125 (= TT 129:130) binding NAD(+)
- K136 (= K142) binding NAD(+)
- K145 (= K151) binding NAD(+)
- FLKT 163:166 (≠ TLDT 169:172) binding NAD(+)
- E178 (= E184) binding Zn(2+)
- H242 (= H248) binding Zn(2+)
- H256 (= H266) binding Zn(2+)
1xagA Crystal structure of staphlyococcus aureus 3-dehydroquinate synthase (dhqs) in complex with zn2+, NAD+ and carbaphosphonate (see paper)
35% identity, 93% coverage: 1:345/369 of query aligns to 1:331/353 of 1xagA
- active site: R115 (= R120), K136 (= K142), E178 (= E184), K221 (= K226), E231 (= E236), R235 (= R241), N239 (= N245), H242 (= H248), H246 (= H252), H256 (= H266)
- binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: K136 (= K142), N146 (= N152), E178 (= E184), K221 (= K226), R235 (= R241), L238 (= L244), N239 (= N245), H242 (= H248), H246 (= H252), K314 (= K328)
- binding nicotinamide-adenine-dinucleotide: D39 (≠ T41), Y41 (≠ R43), V42 (≠ P47), Y45 (≠ L50), E68 (= E73), K71 (= K76), G99 (= G104), G100 (= G105), A101 (≠ V106), D104 (= D109), T124 (= T129), T125 (= T130), L127 (= L132), D130 (= D136), S131 (= S137), K136 (= K142), K145 (= K151), T166 (= T172), L167 (= L173), Q171 (≠ E177), H256 (= H266)
- binding zinc ion: E178 (= E184), H242 (= H248), H256 (= H266)
1nvbB Crystal structure of 3-dehydroquinate synthase (dhqs) in complex with zn2+ and carbaphosphonate (see paper)
39% identity, 84% coverage: 37:347/369 of query aligns to 37:373/391 of 1nvbB
- active site: R128 (= R120), K150 (= K142), E192 (= E184), K248 (= K226), E258 (= E236), R262 (= R241), N266 (= N245), H269 (= H248), H273 (= H252), H285 (= H266)
- binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: D144 (= D136), K150 (= K142), N160 (= N152), E192 (= E184), K248 (= K226), R262 (= R241), L265 (= L244), N266 (= N245), H269 (= H248), H273 (= H252), K354 (= K328)
- binding zinc ion: E192 (= E184), H269 (= H248), H285 (= H266)
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: 33:308/369 of query aligns to 36:323/385 of 6c5cA
- active site: R130 (= R120), K152 (= K142), E194 (= E184), K246 (= K226), E254 (= E234), R258 (= R241), N262 (= N245), H265 (= H248), H269 (= H252), H281 (= H266)
- binding nicotinamide-adenine-dinucleotide: D45 (= D42), N47 (= N44), M48 (≠ I45), E83 (= E73), K86 (= K76), G114 (= G104), G115 (= G105), V116 (= V106), D119 (= D109), T139 (= T129), T140 (= T130), D146 (= D136), S147 (= S137), F179 (≠ T169), T182 (= T172), L183 (= L173), Q187 (≠ E177)
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)
40% identity, 84% coverage: 37:347/369 of query aligns to 39:375/1583 of P07547
3clhA Crystal structure of 3-dehydroquinate synthase (dhqs)from helicobacter pylori (see paper)
42% identity, 62% coverage: 66:295/369 of query aligns to 53:265/308 of 3clhA
- active site: R107 (= R120), K129 (= K142), E171 (= E184), K207 (= K226), R212 (= R241), N216 (= N245), H219 (= H248), H223 (= H252), H236 (= H266)
- binding nicotinamide-adenine-dinucleotide: S58 (≠ P71), E60 (= E73), K63 (= K76), G91 (= G104), G92 (= G105), V93 (= V106), D96 (= D109), T116 (= T129), T117 (= T130), L119 (= L132), D123 (= D136), A124 (≠ S137), K129 (= K142), N139 (= N152), T159 (= T172), L160 (= L173), E164 (= E177)
Sites not aligning to the query:
1nvaA Crystal structure of 3-dehydroquinate synthase (dhqs) in complex with zn2+ and adp (see paper)
40% identity, 75% coverage: 37:313/369 of query aligns to 36:327/380 of 1nvaA
- active site: R127 (= R120), K149 (= K142), E191 (= E184), K247 (= K226), R257 (= R241), N261 (= N245), H264 (= H248), H268 (= H252), H280 (= H266)
- binding adenosine-5'-diphosphate: D41 (= D42), N43 (= N44), G111 (= G104), G112 (= G105), T136 (= T129), T137 (= T130), F176 (≠ T169), T179 (= T172), L180 (= L173)
- binding zinc ion: E191 (= E184), H264 (= H248), H280 (= H266)
P9WPX9 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
40% identity, 75% coverage: 69:345/369 of query aligns to 71:340/362 of P9WPX9
Sites not aligning to the query:
Query Sequence
>WP_011950860.1 NCBI__GCF_000016765.1:WP_011950860.1
MTVRVSLGDRSYDITIENGALDRAGELLAPYAARGRFIVVTDRNIVPNQLYRLETALTAA
GIASAVEVLPPGESTKSWVMLEKLTDALLSYGVERGDTIVALGGGVIGDLVGFAAAILKR
GCRFVQVPTTLLAQVDSSVGGKTAINSKAGKNLIGAFYQPAHVLIDPTTLDTLPPRETRA
GYAEVVKYGLIDDAAFFDWCEANGPKLLAGDPEARAVAIAKSVGAKARIVGEDERETSGR
RALLNLGHTFGHALEAETGFSDRLLHGEAVAAGMALAFRFSAAQGLCPPEDARRVTAHIA
ATGLPATLQAAGVDAGGATLVGHMQHDKKMEGGRLPFLLARGIGETFLDKQVDLAAVEAF
LDAERTATA
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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