SitesBLAST
Comparing WP_078428496.1 NCBI__GCF_002019605.1:WP_078428496.1 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)
3zokA Structure of 3-dehydroquinate synthase from actinidia chinensis in complex with NAD (see paper)
42% identity, 92% coverage: 4:337/363 of query aligns to 4:338/365 of 3zokA
- active site: R122 (= R123), K144 (= K144), E186 (= E186), K228 (= K228), E238 (= E238), R242 (= R242), N246 (= N246), H249 (= H249), H253 (= H253), H266 (= H266)
- binding glycine: K144 (= K144), K228 (= K228), R242 (= R242)
- binding nicotinamide-adenine-dinucleotide: T44 (≠ H47), V45 (= V48), D73 (≠ A74), E75 (= E76), K78 (= K79), G106 (= G107), G107 (= G108), V108 (= V109), D111 (= D112), T131 (= T132), T132 (= T133), M134 (≠ L135), D138 (= D138), S139 (= S139), K144 (= K144), K153 (= K153), T174 (≠ S174), L175 (= L175), E179 (= E179), H266 (= H266)
U3KRF2 3-dehydroquinate synthase, chloroplastic; EC 4.2.3.4 from Actinidia chinensis var. chinensis (Chinese soft-hair kiwi) (see paper)
43% identity, 91% coverage: 6:337/363 of query aligns to 86:418/445 of U3KRF2
Q9KNV2 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
41% identity, 95% coverage: 1:345/363 of query aligns to 1:343/361 of Q9KNV2
3okfA 2.5 angstrom resolution crystal structure of 3-dehydroquinate synthase (arob) from vibrio cholerae
40% identity, 95% coverage: 1:345/363 of query aligns to 2:342/360 of 3okfA
- active site: R120 (= R123), K142 (= K144), E184 (= E186), K226 (= K228), R238 (= R242), N242 (= N246), H245 (= H249), H249 (= H253), H262 (= H266)
- binding nicotinamide-adenine-dinucleotide: N42 (≠ D45), L48 (= L51), D71 (≠ A74), E73 (= E76), K76 (= K79), G104 (= G107), G105 (= G108), V106 (= V109), D109 (= D112), T129 (= T132), T130 (= T133), L132 (= L135), D136 (= D138), T172 (≠ S174), L173 (= L175), E177 (= E179)
Q6GGU4 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Staphylococcus aureus (strain MRSA252) (see paper)
40% identity, 96% coverage: 3:349/363 of query aligns to 2:339/354 of Q6GGU4
1xagA Crystal structure of staphlyococcus aureus 3-dehydroquinate synthase (dhqs) in complex with zn2+, NAD+ and carbaphosphonate (see paper)
40% identity, 96% coverage: 3:349/363 of query aligns to 2:339/353 of 1xagA
- active site: R115 (= R123), K136 (= K144), E178 (= E186), K221 (= K228), E231 (= E238), R235 (= R242), N239 (= N246), H242 (= H249), H246 (= H253), H256 (= H266)
- binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: K136 (= K144), N146 (= N154), E178 (= E186), K221 (= K228), R235 (= R242), L238 (= L245), N239 (= N246), H242 (= H249), H246 (= H253), K314 (= K324)
- binding nicotinamide-adenine-dinucleotide: D39 (= D45), Y41 (≠ H47), V42 (= V48), Y45 (≠ L51), E68 (= E76), K71 (= K79), G99 (= G107), G100 (= G108), A101 (≠ V109), D104 (= D112), T124 (= T132), T125 (= T133), L127 (= L135), D130 (= D138), S131 (= S139), K136 (= K144), K145 (= K153), T166 (≠ S174), L167 (= L175), Q171 (≠ E179), H256 (= H266)
- binding zinc ion: E178 (= E186), H242 (= H249), H256 (= H266)
5eksA Structure of 3-dehydroquinate synthase from acinetobacter baumannii in complex with NAD
39% identity, 100% coverage: 1:362/363 of query aligns to 2:355/355 of 5eksA
- active site: R120 (= R123), K142 (= K144), E184 (= E186), K226 (= K228), R237 (= R242), N241 (= N246), H244 (= H249), H248 (= H253), H261 (= H266)
- binding magnesium ion: E184 (= E186), H244 (= H249), H261 (= H266)
- binding nicotinamide-adenine-dinucleotide: N42 (≠ D45), V45 (= V48), D71 (≠ A74), E73 (= E76), K76 (= K79), G104 (= G107), G105 (= G108), V106 (= V109), D109 (= D112), T129 (= T132), T130 (= T133), D136 (= D138), S137 (= S139), K142 (= K144), T172 (≠ S174), L173 (= L175), E177 (= E179)
6llaB Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+ and NAD (see paper)
40% identity, 95% coverage: 1:346/363 of query aligns to 2:347/363 of 6llaB
- active site: R121 (= R123), K143 (= K144), E185 (= E186), K227 (= K228), E237 (= E238), R242 (= R242), N246 (= N246), H249 (= H249), H253 (= H253), H266 (= H266)
- binding magnesium ion: E185 (= E186), H249 (= H249), H266 (= H266)
- binding nicotinamide-adenine-dinucleotide: L46 (≠ V48), D72 (≠ A74), E74 (= E76), K77 (= K79), G105 (= G107), G106 (= G108), V107 (= V109), D110 (= D112), T130 (= T132), T131 (= T133), L133 (= L135), D137 (= D138), K143 (= K144), T173 (≠ S174), L174 (= L175), E178 (= E179)
6lk2A Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+, NAD and chlorogenic acid (see paper)
39% identity, 95% coverage: 1:346/363 of query aligns to 2:343/357 of 6lk2A
- active site: R121 (= R123), K143 (= K144), E185 (= E186), K227 (= K228), R238 (= R242), N242 (= N246), H245 (= H249), H249 (= H253), 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 (= D138), E185 (= E186), K227 (= K228), R238 (= R242), N242 (= N246), H245 (= H249), T246 (= T250), H249 (= H253), H262 (= H266)
- binding magnesium ion: E185 (= E186), H245 (= H249), H262 (= H266)
- binding nicotinamide-adenine-dinucleotide: L46 (≠ V48), D72 (≠ A74), E74 (= E76), K77 (= K79), G105 (= G107), G106 (= G108), V107 (= V109), D110 (= D112), T130 (= T132), T131 (= T133), L133 (= L135), D137 (= D138), S138 (= S139), C170 (≠ A171), T173 (≠ S174), L174 (= L175), P175 (= P176), E178 (= E179)
Q5NFS1 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
39% identity, 98% coverage: 1:356/363 of query aligns to 2:355/359 of Q5NFS1
P56081 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori) (see paper)
41% identity, 99% coverage: 1:358/363 of query aligns to 1:341/343 of P56081
6hqvA Pentafunctional arom complex from chaetomium thermophilum (see paper)
37% identity, 93% coverage: 25:361/363 of query aligns to 20:389/1555 of 6hqvA
- active site: R123 (= R123), K145 (= K144), E187 (= E186), K243 (= K228), E253 (= E238), R257 (= R242), N261 (= N246), H264 (= H249), H268 (= H253), H280 (= H266)
- binding glutamic acid: D139 (= D138), K145 (= K144), E187 (= E186), K243 (= K228), R257 (= R242), H264 (= H249), H280 (= H266)
- binding nicotinamide-adenine-dinucleotide: D42 (= D45), N44 (≠ H47), L45 (≠ V48), E76 (= E76), K79 (= K79), G107 (= G107), G108 (= G108), V109 (= V109), D112 (= D112), T132 (= T132), T133 (= T133), L135 (= L135), D139 (= D138), S140 (= S139), K145 (= K144), K154 (= K153), T175 (≠ S174), L176 (= L175), P177 (= P176), E180 (= E179), H280 (= H266)
- binding zinc ion: E187 (= E186), H264 (= H249), 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
5hvnA 3.0 angstrom crystal structure of 3-dehydroquinate synthase (arob) from francisella tularensis in complex with NAD.
38% identity, 98% coverage: 1:356/363 of query aligns to 5:350/354 of 5hvnA
- active site: R123 (= R123), K145 (= K144), E187 (= E186), K228 (= K228), R239 (= R242), N243 (= N246), H246 (= H249), H250 (= H253), H263 (= H266)
- binding nicotinamide-adenine-dinucleotide: N45 (≠ D45), L51 (= L51), D73 (≠ A74), E75 (= E76), K78 (= K79), G107 (= G107), G108 (= G108), V109 (= V109), D112 (= D112), T132 (= T132), T133 (= T133), L135 (= L135), D139 (= D138), K145 (= K144), F172 (≠ A171), T175 (≠ S174), L176 (= L175), E180 (= E179)
6c5cA Crystal structure of the 3-dehydroquinate synthase (dhqs) domain of aro1 from candida albicans sc5314 in complex with nadh (see paper)
40% identity, 84% coverage: 37:342/363 of query aligns to 37:367/385 of 6c5cA
- active site: R130 (= R123), K152 (= K144), E194 (= E186), K246 (= K228), E254 (= E238), R258 (= R242), N262 (= N246), H265 (= H249), H269 (= H253), H281 (= H266)
- binding nicotinamide-adenine-dinucleotide: D45 (= D45), N47 (≠ H47), M48 (≠ V48), E83 (= E76), K86 (= K79), G114 (= G107), G115 (= G108), V116 (= V109), D119 (= D112), T139 (= T132), T140 (= T133), D146 (= D138), S147 (= S139), F179 (≠ A171), T182 (≠ S174), L183 (= L175), Q187 (≠ E179)
1dqsA Crystal structure of dehydroquinate synthase (dhqs) complexed with carbaphosphonate, NAD+ and zn2+ (see paper)
37% identity, 87% coverage: 25:340/363 of query aligns to 19:362/381 of 1dqsA
- active site: R127 (= R123), K149 (= K144), E191 (= E186), K240 (= K228), E250 (= E238), R254 (= R242), N258 (= N246), H261 (= H249), H265 (= H253), H277 (= H266)
- binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: D143 (= D138), K149 (= K144), N159 (= N154), E191 (= E186), K240 (= K228), R254 (= R242), L257 (= L245), N258 (= N246), H261 (= H249), H265 (= H253), H277 (= H266), K346 (= K324)
- binding nicotinamide-adenine-dinucleotide: D41 (= D45), N43 (≠ H47), I44 (≠ V48), E78 (= E76), K81 (= K79), G111 (= G107), G112 (= G108), V113 (= V109), D116 (= D112), T136 (= T132), T137 (= T133), L139 (= L135), D143 (= D138), S144 (= S139), K158 (= K153), T179 (≠ S174), P181 (= P176), E184 (= E179), H277 (= H266)
- binding zinc ion: E191 (= E186), H261 (= H249), H277 (= H266)
3clhA Crystal structure of 3-dehydroquinate synthase (dhqs)from helicobacter pylori (see paper)
43% identity, 75% coverage: 6:277/363 of query aligns to 3:247/308 of 3clhA
- active site: R107 (= R123), K129 (= K144), E171 (= E186), K207 (= K228), R212 (= R242), N216 (= N246), H219 (= H249), H223 (= H253), H236 (= H266)
- binding nicotinamide-adenine-dinucleotide: I33 (≠ H47), V34 (= V48), H38 (≠ Y52), S58 (≠ A74), E60 (= E76), K63 (= K79), G91 (= G107), G92 (= G108), V93 (= V109), D96 (= D112), T116 (= T132), T117 (= T133), L119 (= L135), D123 (= D138), A124 (≠ S139), K129 (= K144), N139 (= N154), T159 (≠ S174), L160 (= L175), E164 (= E179)
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)
36% identity, 93% coverage: 25:361/363 of query aligns to 22:396/1583 of P07547
1nvbB Crystal structure of 3-dehydroquinate synthase (dhqs) in complex with zn2+ and carbaphosphonate (see paper)
36% identity, 87% coverage: 25:340/363 of query aligns to 20:370/391 of 1nvbB
- active site: R128 (= R123), K150 (= K144), E192 (= E186), K248 (= K228), E258 (= E238), R262 (= R242), N266 (= N246), H269 (= H249), H273 (= H253), H285 (= H266)
- binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: D144 (= D138), K150 (= K144), N160 (= N154), E192 (= E186), K248 (= K228), R262 (= R242), L265 (= L245), N266 (= N246), H269 (= H249), H273 (= H253), K354 (= K324)
- binding zinc ion: E192 (= E186), H269 (= H249), H285 (= H266)
P9WPX9 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
38% identity, 79% coverage: 54:341/363 of query aligns to 53:340/362 of P9WPX9
Sites not aligning to the query:
3qbeA Crystal structure of the 3-dehydroquinate synthase (arob) from mycobacterium tuberculosis
37% identity, 79% coverage: 54:341/363 of query aligns to 48:331/352 of 3qbeA
- active site: R117 (= R123), K139 (= K144), E181 (= E186), K223 (= K228), R233 (= R242), N237 (= N246), H240 (= H249), H244 (= H253), H256 (= H266)
- binding zinc ion: E181 (= E186), H240 (= H249), H256 (= H266)
Query Sequence
>WP_078428496.1 NCBI__GCF_002019605.1:WP_078428496.1
MEQLHINTSSKQYSVWIGEGIRFKWNEYLPNSLQQKSSSVLIITDDHVAPLYLQDVKKHV
VDQLSEVYEYVVPAGEQSKSFQQYYEIQTYALEIGLDRNSLIIALGGGVIGDLAGFVAAT
YMRGIPFIQIPTTLLAHDSSVGGKVGINHSLGKNMIGAFHQPEAVLYDPEALQSLPLHEW
RSGFAEAIKHSLIWDASLFQWFKDNIVDFTNIKGSLAEQLLLRSIRVKAAVVSEDEKETG
IRAILNFGHTLGHAIETGLGYGKITHGEAVAIGMIFAMRVSERYYNIPLPVDEIKNWLTK
LGFKTDIPSQLDVSQLLHTMKKDKKAHKGIIRMVLMKELGRVEVVSVDEEPIKELLLKEI
KGE
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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