SitesBLAST
Comparing WP_011767366.1 NCBI__GCF_000061505.1:WP_011767366.1 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)
3zokA Structure of 3-dehydroquinate synthase from actinidia chinensis in complex with NAD (see paper)
58% identity, 95% coverage: 4:345/360 of query aligns to 4:349/365 of 3zokA
- active site: R122 (= R120), K144 (= K142), E186 (= E184), K228 (= K226), E238 (= E236), R242 (= R240), N246 (= N244), H249 (= H247), H253 (= H251), H266 (= H264)
- binding glycine: K144 (= K142), K228 (= K226), R242 (= R240)
- binding nicotinamide-adenine-dinucleotide: T44 (≠ V44), V45 (= V45), D73 (= D71), 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 (= H264)
U3KRF2 3-dehydroquinate synthase, chloroplastic; EC 4.2.3.4 from Actinidia chinensis var. chinensis (Chinese soft-hair kiwi) (see paper)
57% identity, 95% coverage: 4:345/360 of query aligns to 84:429/445 of U3KRF2
5eksA Structure of 3-dehydroquinate synthase from acinetobacter baumannii in complex with NAD
59% identity, 96% coverage: 1:345/360 of query aligns to 2:339/355 of 5eksA
- active site: R120 (= R120), K142 (= K142), E184 (= E184), K226 (= K226), R237 (= R240), N241 (= N244), H244 (= H247), H248 (= H251), H261 (= H264)
- binding magnesium ion: E184 (= E184), H244 (= H247), H261 (= H264)
- binding nicotinamide-adenine-dinucleotide: N42 (= N42), V45 (= V45), D71 (= D71), 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)
Q9KNV2 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
55% identity, 99% coverage: 1:355/360 of query aligns to 1:355/361 of Q9KNV2
6llaB Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+ and NAD (see paper)
56% identity, 99% coverage: 1:356/360 of query aligns to 2:359/363 of 6llaB
- active site: R121 (= R120), K143 (= K142), E185 (= E184), K227 (= K226), E237 (= E236), R242 (= R240), N246 (= N244), H249 (= H247), H253 (= H251), H266 (= H264)
- binding magnesium ion: E185 (= E184), H249 (= H247), H266 (= H264)
- binding nicotinamide-adenine-dinucleotide: L46 (≠ V45), D72 (= D71), 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)
6lk2A Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+, NAD and chlorogenic acid (see paper)
56% identity, 99% coverage: 1:356/360 of query aligns to 2:355/357 of 6lk2A
- active site: R121 (= R120), K143 (= K142), E185 (= E184), K227 (= K226), R238 (= R240), N242 (= N244), H245 (= H247), H249 (= H251), H262 (= H264)
- 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 (= R240), N242 (= N244), H245 (= H247), T246 (= T248), H249 (= H251), H262 (= H264)
- binding magnesium ion: E185 (= E184), H245 (= H247), H262 (= H264)
- binding nicotinamide-adenine-dinucleotide: L46 (≠ V45), D72 (= D71), E74 (= E73), K77 (= K76), G105 (= G104), G106 (= G105), V107 (= V106), D110 (= D109), T130 (= T129), T131 (= T130), L133 (= L132), D137 (= D136), S138 (= S137), C170 (≠ V169), T173 (= T172), L174 (= L173), P175 (= P174), E178 (= E177)
3okfA 2.5 angstrom resolution crystal structure of 3-dehydroquinate synthase (arob) from vibrio cholerae
55% identity, 99% coverage: 1:355/360 of query aligns to 2:354/360 of 3okfA
- active site: R120 (= R120), K142 (= K142), E184 (= E184), K226 (= K226), R238 (= R240), N242 (= N244), H245 (= H247), H249 (= H251), H262 (= H264)
- binding nicotinamide-adenine-dinucleotide: N42 (= N42), L48 (= L48), D71 (= D71), 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)
Q5NFS1 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
49% identity, 86% coverage: 28:338/360 of query aligns to 28:339/359 of Q5NFS1
5hvnA 3.0 angstrom crystal structure of 3-dehydroquinate synthase (arob) from francisella tularensis in complex with NAD.
48% identity, 86% coverage: 28:338/360 of query aligns to 31:334/354 of 5hvnA
- active site: R123 (= R120), K145 (= K142), E187 (= E184), K228 (= K226), R239 (= R240), N243 (= N244), H246 (= H247), H250 (= H251), H263 (= H264)
- binding nicotinamide-adenine-dinucleotide: N45 (= N42), L51 (= L48), D73 (= D71), E75 (= E73), K78 (= K76), G107 (= G104), G108 (= G105), V109 (= V106), D112 (= D109), T132 (= T129), T133 (= T130), L135 (= L132), D139 (= D136), K145 (= K142), F172 (≠ V169), T175 (= T172), L176 (= L173), E180 (= E177)
P56081 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori) (see paper)
39% identity, 94% coverage: 1:338/360 of query aligns to 1:322/343 of P56081
6hqvA Pentafunctional arom complex from chaetomium thermophilum (see paper)
42% identity, 84% coverage: 39:339/360 of query aligns to 39:366/1555 of 6hqvA
- active site: R123 (= R120), K145 (= K142), E187 (= E184), K243 (= K226), E253 (= E236), R257 (= R240), N261 (= N244), H264 (= H247), H268 (= H251), H280 (= H264)
- binding glutamic acid: D139 (= D136), K145 (= K142), E187 (= E184), K243 (= K226), R257 (= R240), H264 (= H247), H280 (= H264)
- binding nicotinamide-adenine-dinucleotide: D42 (≠ N42), N44 (≠ V44), L45 (≠ V45), 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 (= H264)
- binding zinc ion: E187 (= E184), H264 (= H247), H280 (= H264)
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
P9WPX9 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
42% identity, 94% coverage: 3:339/360 of query aligns to 9:340/362 of P9WPX9
3clhA Crystal structure of 3-dehydroquinate synthase (dhqs)from helicobacter pylori (see paper)
40% identity, 83% coverage: 6:302/360 of query aligns to 3:274/308 of 3clhA
- active site: R107 (= R120), K129 (= K142), E171 (= E184), K207 (= K226), R212 (= R240), N216 (= N244), H219 (= H247), H223 (= H251), H236 (= H264)
- binding nicotinamide-adenine-dinucleotide: I33 (≠ V44), V34 (= V45), H38 (vs. gap), S58 (≠ D71), 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)
1dqsA Crystal structure of dehydroquinate synthase (dhqs) complexed with carbaphosphonate, NAD+ and zn2+ (see paper)
43% identity, 83% coverage: 39:338/360 of query aligns to 38:362/381 of 1dqsA
- active site: R127 (= R120), K149 (= K142), E191 (= E184), K240 (= K226), E250 (= E236), R254 (= R240), N258 (= N244), H261 (= H247), H265 (= H251), H277 (= H264)
- 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 (= R240), L257 (= L243), N258 (= N244), H261 (= H247), H265 (= H251), H277 (= H264), K346 (= K322)
- binding nicotinamide-adenine-dinucleotide: D41 (≠ N42), N43 (≠ V44), I44 (≠ V45), 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 (= H264)
- binding zinc ion: E191 (= E184), H261 (= H247), H277 (= H264)
6c5cA Crystal structure of the 3-dehydroquinate synthase (dhqs) domain of aro1 from candida albicans sc5314 in complex with nadh (see paper)
40% identity, 91% coverage: 15:340/360 of query aligns to 17:367/385 of 6c5cA
- active site: R130 (= R120), K152 (= K142), E194 (= E184), K246 (= K226), E254 (= E234), R258 (= R240), N262 (= N244), H265 (= H247), H269 (= H251), H281 (= H264)
- binding nicotinamide-adenine-dinucleotide: D45 (vs. gap), N47 (= N42), M48 (≠ T43), E83 (= E73), K86 (= K76), G114 (= G104), G115 (= G105), V116 (= V106), D119 (= D109), T139 (= T129), T140 (= T130), D146 (= D136), S147 (= S137), F179 (≠ V169), T182 (= T172), L183 (= L173), Q187 (≠ E177)
1nvbB Crystal structure of 3-dehydroquinate synthase (dhqs) in complex with zn2+ and carbaphosphonate (see paper)
42% identity, 83% coverage: 39:338/360 of query aligns to 39:370/391 of 1nvbB
- active site: R128 (= R120), K150 (= K142), E192 (= E184), K248 (= K226), E258 (= E236), R262 (= R240), N266 (= N244), H269 (= H247), H273 (= H251), H285 (= H264)
- 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 (= R240), L265 (= L243), N266 (= N244), H269 (= H247), H273 (= H251), K354 (= K322)
- binding zinc ion: E192 (= E184), H269 (= H247), H285 (= H264)
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, 83% coverage: 39:338/360 of query aligns to 41:372/1583 of P07547
3qbeA Crystal structure of the 3-dehydroquinate synthase (arob) from mycobacterium tuberculosis
43% identity, 80% coverage: 51:339/360 of query aligns to 48:331/352 of 3qbeA
- active site: R117 (= R120), K139 (= K142), E181 (= E184), K223 (= K226), R233 (= R240), N237 (= N244), H240 (= H247), H244 (= H251), H256 (= H264)
- binding zinc ion: E181 (= E184), H240 (= H247), H256 (= H264)
3qbdA 3-dehydroquinate synthase (arob) from mycobacterium tuberculosis in complex with NAD
41% identity, 80% coverage: 51:339/360 of query aligns to 48:323/344 of 3qbdA
- active site: R117 (= R120), K139 (= K142), E181 (= E184), K223 (= K226), R232 (= R240), N236 (= N244), H239 (= H247), H243 (= H251), H255 (= H264)
- binding nicotinamide-adenine-dinucleotide: D68 (= D71), A69 (≠ G72), E70 (= E73), K73 (= K76), G101 (= G104), G102 (= G105), A103 (≠ V106), D106 (= D109), T126 (= T129), T127 (= T130), L129 (= L132), A134 (≠ S137), T169 (= T172), L170 (= L173)
Sites not aligning to the query:
1nvaA Crystal structure of 3-dehydroquinate synthase (dhqs) in complex with zn2+ and adp (see paper)
41% identity, 83% coverage: 39:338/360 of query aligns to 38:360/380 of 1nvaA
- active site: R127 (= R120), K149 (= K142), E191 (= E184), K247 (= K226), R257 (= R240), N261 (= N244), H264 (= H247), H268 (= H251), H280 (= H264)
- binding adenosine-5'-diphosphate: D41 (≠ N42), N43 (≠ V44), G111 (= G104), G112 (= G105), T136 (= T129), T137 (= T130), F176 (≠ V169), T179 (= T172), L180 (= L173)
- binding zinc ion: E191 (= E184), H264 (= H247), H280 (= H264)
Query Sequence
>WP_011767366.1 NCBI__GCF_000061505.1:WP_011767366.1
MRTLNVALGDRSYPIHIGAGLLARPELIVPLLRTPRVAIVTNTVVGPLYLERLTAGLESH
GIAVSTVVLPDGEAHKDWTTLNRIFDMLLESRCERSTTLLALGGGVVGDMGGFAAATYQR
GMPFMQIPTTLLSQVDSSVGGKTAINHPLGKNMIGAFYQPRLVLADIEVLNTLPDRELSA
GLAEVIKYGLIRDPAFYAWLEENIERLRARDPEALAYAIERSCRNKAEVVAADETEQGER
ALLNLGHTFGHAIETGMGYGEWLHGEAVAAGTMMAAELSRALGWLTDDDVNRIEALFVRA
GLPVRAPALGIERYLELMAHDKKVESGRLRLVLLASIGKALMFGDATAGEIGAAISRRCG
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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