SitesBLAST
Comparing WP_013450358.1 NCBI__GCF_000183405.1:WP_013450358.1 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)
Q9KNV2 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
38% identity, 99% coverage: 1:350/355 of query aligns to 1:359/361 of Q9KNV2
3okfA 2.5 angstrom resolution crystal structure of 3-dehydroquinate synthase (arob) from vibrio cholerae
38% identity, 99% coverage: 1:350/355 of query aligns to 2:358/360 of 3okfA
- active site: R120 (= R112), K142 (= K134), E184 (= E176), K226 (= K218), R238 (= R232), N242 (= N236), H245 (= H239), H249 (= H243), H262 (= H255)
- binding nicotinamide-adenine-dinucleotide: N42 (≠ D43), L48 (= L49), D71 (≠ S63), E73 (= E65), K76 (= K68), G104 (= G96), G105 (= G97), V106 (≠ I98), D109 (= D101), T129 (= T121), T130 (= T122), L132 (= L124), D136 (= D128), T172 (= T164), L173 (= L165), E177 (= E169)
6llaB Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+ and NAD (see paper)
46% identity, 70% coverage: 1:248/355 of query aligns to 2:258/363 of 6llaB
- active site: R121 (= R112), K143 (= K134), E185 (= E176), K227 (= K218), E237 (= E228), R242 (= R232), N246 (= N236), H249 (= H239), H253 (= H243)
- binding magnesium ion: E185 (= E176), H249 (= H239)
- binding nicotinamide-adenine-dinucleotide: L46 (≠ V46), D72 (≠ S63), E74 (= E65), K77 (= K68), G105 (= G96), G106 (= G97), V107 (≠ I98), D110 (= D101), T130 (= T121), T131 (= T122), L133 (= L124), D137 (= D128), K143 (= K134), T173 (= T164), L174 (= L165), E178 (= E169)
Sites not aligning to the query:
P56081 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori) (see paper)
41% identity, 83% coverage: 58:351/355 of query aligns to 56:342/343 of P56081
6lk2A Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+, NAD and chlorogenic acid (see paper)
46% identity, 70% coverage: 1:248/355 of query aligns to 2:254/357 of 6lk2A
- active site: R121 (= R112), K143 (= K134), E185 (= E176), K227 (= K218), R238 (= R232), N242 (= N236), H245 (= H239), H249 (= H243)
- binding (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid: D137 (= D128), E185 (= E176), K227 (= K218), R238 (= R232), N242 (= N236), H245 (= H239), T246 (= T240), H249 (= H243)
- binding magnesium ion: E185 (= E176), H245 (= H239)
- binding nicotinamide-adenine-dinucleotide: L46 (≠ V46), D72 (≠ S63), E74 (= E65), K77 (= K68), G105 (= G96), G106 (= G97), V107 (≠ I98), D110 (= D101), T130 (= T121), T131 (= T122), L133 (= L124), D137 (= D128), S138 (= S129), C170 (≠ F161), T173 (= T164), L174 (= L165), P175 (= P166), E178 (= E169)
Sites not aligning to the query:
U3KRF2 3-dehydroquinate synthase, chloroplastic; EC 4.2.3.4 from Actinidia chinensis var. chinensis (Chinese soft-hair kiwi) (see paper)
46% identity, 65% coverage: 60:288/355 of query aligns to 150:379/445 of U3KRF2
Sites not aligning to the query:
3zokA Structure of 3-dehydroquinate synthase from actinidia chinensis in complex with NAD (see paper)
46% identity, 65% coverage: 60:288/355 of query aligns to 70:299/365 of 3zokA
- active site: R122 (= R112), K144 (= K134), E186 (= E176), K228 (= K218), E238 (= E228), R242 (= R232), N246 (= N236), H249 (= H239), H253 (= H243), H266 (= H255)
- binding glycine: K144 (= K134), K228 (= K218), R242 (= R232)
- binding nicotinamide-adenine-dinucleotide: D73 (≠ S63), E75 (= E65), K78 (= K68), G106 (= G96), G107 (= G97), V108 (≠ I98), D111 (= D101), T131 (= T121), T132 (= T122), M134 (≠ L124), D138 (= D128), S139 (= S129), K144 (= K134), K153 (= K143), T174 (= T164), L175 (= L165), E179 (= E169), H266 (= H255)
Sites not aligning to the query:
Q5NFS1 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
37% identity, 93% coverage: 1:330/355 of query aligns to 2:340/359 of Q5NFS1
5hvnA 3.0 angstrom crystal structure of 3-dehydroquinate synthase (arob) from francisella tularensis in complex with NAD.
38% identity, 84% coverage: 1:297/355 of query aligns to 5:305/354 of 5hvnA
- active site: R123 (= R112), K145 (= K134), E187 (= E176), K228 (= K218), R239 (= R232), N243 (= N236), H246 (= H239), H250 (= H243), H263 (= H255)
- binding nicotinamide-adenine-dinucleotide: N45 (≠ D43), L51 (= L49), D73 (≠ S63), E75 (= E65), K78 (= K68), G107 (= G96), G108 (= G97), V109 (≠ I98), D112 (= D101), T132 (= T121), T133 (= T122), L135 (= L124), D139 (= D128), K145 (= K134), F172 (= F161), T175 (= T164), L176 (= L165), E180 (= E169)
5eksA Structure of 3-dehydroquinate synthase from acinetobacter baumannii in complex with NAD
42% identity, 73% coverage: 87:344/355 of query aligns to 95:347/355 of 5eksA
- active site: R120 (= R112), K142 (= K134), E184 (= E176), K226 (= K218), R237 (= R232), N241 (= N236), H244 (= H239), H248 (= H243), H261 (= H255)
- binding magnesium ion: E184 (= E176), H244 (= H239), H261 (= H255)
- binding nicotinamide-adenine-dinucleotide: G104 (= G96), G105 (= G97), V106 (≠ I98), D109 (= D101), T129 (= T121), T130 (= T122), D136 (= D128), S137 (= S129), K142 (= K134), T172 (= T164), L173 (= L165), E177 (= E169)
Sites not aligning to the query:
6hqvA Pentafunctional arom complex from chaetomium thermophilum (see paper)
35% identity, 78% coverage: 17:292/355 of query aligns to 12:317/1555 of 6hqvA
- active site: R123 (= R112), K145 (= K134), E187 (= E176), K243 (= K218), E253 (= E228), R257 (= R232), N261 (= N236), H264 (= H239), H268 (= H243), H280 (= H255)
- binding glutamic acid: D139 (= D128), K145 (= K134), E187 (= E176), K243 (= K218), R257 (= R232), H264 (= H239), H280 (= H255)
- binding nicotinamide-adenine-dinucleotide: D42 (= D43), N44 (= N45), L45 (≠ V46), E76 (= E65), K79 (= K68), G107 (= G96), G108 (= G97), V109 (≠ I98), D112 (= D101), T132 (= T121), T133 (= T122), L135 (= L124), D139 (= D128), S140 (= S129), K145 (= K134), K154 (= K143), T175 (= T164), L176 (= L165), P177 (= P166), E180 (= E169), H280 (= H255)
- binding zinc ion: E187 (= E176), H264 (= H239), H280 (= H255)
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)
38% identity, 72% coverage: 61:314/355 of query aligns to 71:324/362 of P9WPX9
Sites not aligning to the query:
3clhA Crystal structure of 3-dehydroquinate synthase (dhqs)from helicobacter pylori (see paper)
43% identity, 68% coverage: 58:298/355 of query aligns to 53:279/308 of 3clhA
- active site: R107 (= R112), K129 (= K134), E171 (= E176), K207 (= K218), R212 (= R232), N216 (= N236), H219 (= H239), H223 (= H243), H236 (= H255)
- binding nicotinamide-adenine-dinucleotide: S58 (= S63), E60 (= E65), K63 (= K68), G91 (= G96), G92 (= G97), V93 (≠ I98), D96 (= D101), T116 (= T121), T117 (= T122), L119 (= L124), D123 (= D128), A124 (≠ S129), K129 (= K134), N139 (= N144), T159 (= T164), L160 (= L165), E164 (= E169)
Sites not aligning to the query:
Q6GGU4 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Staphylococcus aureus (strain MRSA252) (see paper)
35% identity, 90% coverage: 15:335/355 of query aligns to 11:336/354 of Q6GGU4
- D39 (= D43) binding NAD(+)
- Y45 (≠ L49) binding NAD(+)
- EKTK 68:71 (≠ EHNK 65:68) binding NAD(+)
- GATGD 100:104 (≠ GIVGD 97:101) binding NAD(+)
- TT 124:125 (= TT 121:122) binding NAD(+)
- K136 (= K134) binding NAD(+)
- K145 (= K143) binding NAD(+)
- FLKT 163:166 (≠ FLAT 161:164) binding NAD(+)
- E178 (= E176) binding Zn(2+)
- H242 (= H239) binding Zn(2+)
- H256 (= H255) binding Zn(2+)
3qbeA Crystal structure of the 3-dehydroquinate synthase (arob) from mycobacterium tuberculosis
37% identity, 72% coverage: 61:314/355 of query aligns to 66:315/352 of 3qbeA
- active site: R117 (= R112), K139 (= K134), E181 (= E176), K223 (= K218), R233 (= R232), N237 (= N236), H240 (= H239), H244 (= H243), H256 (= H255)
- binding zinc ion: E181 (= E176), H240 (= H239), H256 (= H255)
1dqsA Crystal structure of dehydroquinate synthase (dhqs) complexed with carbaphosphonate, NAD+ and zn2+ (see paper)
37% identity, 73% coverage: 40:298/355 of query aligns to 38:320/381 of 1dqsA
- active site: R127 (= R112), K149 (= K134), E191 (= E176), K240 (= K218), E250 (= E228), R254 (= R232), N258 (= N236), H261 (= H239), H265 (= H243), H277 (= H255)
- binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: D143 (= D128), K149 (= K134), N159 (= N144), E191 (= E176), K240 (= K218), R254 (= R232), L257 (= L235), N258 (= N236), H261 (= H239), H265 (= H243), H277 (= H255)
- binding nicotinamide-adenine-dinucleotide: D41 (= D43), N43 (= N45), I44 (≠ V46), E78 (= E65), K81 (= K68), G111 (= G96), G112 (= G97), V113 (≠ I98), D116 (= D101), T136 (= T121), T137 (= T122), L139 (= L124), D143 (= D128), S144 (= S129), K158 (= K143), T179 (= T164), P181 (= P166), E184 (= E169), H277 (= H255)
- binding zinc ion: E191 (= E176), H261 (= H239), H277 (= H255)
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)
35% identity, 90% coverage: 15:335/355 of query aligns to 11:336/353 of 1xagA
- active site: R115 (= R112), K136 (= K134), E178 (= E176), K221 (= K218), E231 (= E228), R235 (= R232), N239 (= N236), H242 (= H239), H246 (= H243), H256 (= H255)
- binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: K136 (= K134), N146 (= N144), E178 (= E176), K221 (= K218), R235 (= R232), L238 (= L235), N239 (= N236), H242 (= H239), H246 (= H243), K314 (= K313)
- binding nicotinamide-adenine-dinucleotide: D39 (= D43), Y41 (≠ N45), V42 (= V46), Y45 (≠ L49), E68 (= E65), K71 (= K68), G99 (= G96), G100 (= G97), A101 (≠ I98), D104 (= D101), T124 (= T121), T125 (= T122), L127 (= L124), D130 (= D128), S131 (= S129), K136 (= K134), K145 (= K143), T166 (= T164), L167 (= L165), Q171 (≠ E169), H256 (= H255)
- binding zinc ion: E178 (= E176), H242 (= H239), H256 (= H255)
3qbdA 3-dehydroquinate synthase (arob) from mycobacterium tuberculosis in complex with NAD
38% identity, 67% coverage: 61:297/355 of query aligns to 66:297/344 of 3qbdA
- active site: R117 (= R112), K139 (= K134), E181 (= E176), K223 (= K218), R232 (= R232), N236 (= N236), H239 (= H239), H243 (= H243), H255 (= H255)
- binding nicotinamide-adenine-dinucleotide: D68 (≠ S63), A69 (≠ S64), E70 (= E65), K73 (= K68), G101 (= G96), G102 (= G97), A103 (≠ I98), D106 (= D101), T126 (= T121), T127 (= T122), L129 (= L124), A134 (≠ S129), T169 (= T164), L170 (= L165)
Sites not aligning to the query:
1nvbB Crystal structure of 3-dehydroquinate synthase (dhqs) in complex with zn2+ and carbaphosphonate (see paper)
36% identity, 73% coverage: 40:298/355 of query aligns to 39:328/391 of 1nvbB
- active site: R128 (= R112), K150 (= K134), E192 (= E176), K248 (= K218), E258 (= E228), R262 (= R232), N266 (= N236), H269 (= H239), H273 (= H243), H285 (= H255)
- binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: D144 (= D128), K150 (= K134), N160 (= N144), E192 (= E176), K248 (= K218), R262 (= R232), L265 (= L235), N266 (= N236), H269 (= H239), H273 (= H243)
- binding zinc ion: E192 (= E176), H269 (= H239), H285 (= H255)
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)
37% identity, 69% coverage: 59:302/355 of query aligns to 77:328/385 of 6c5cA
- active site: R130 (= R112), K152 (= K134), E194 (= E176), K246 (= K218), E254 (= E226), R258 (= R232), N262 (= N236), H265 (= H239), H269 (= H243), H281 (= H255)
- binding nicotinamide-adenine-dinucleotide: E83 (= E65), K86 (= K68), G114 (= G96), G115 (= G97), V116 (≠ I98), D119 (= D101), T139 (= T121), T140 (= T122), D146 (= D128), S147 (= S129), F179 (= F161), T182 (= T164), L183 (= L165), Q187 (≠ E169)
Sites not aligning to the query:
Query Sequence
>WP_013450358.1 NCBI__GCF_000183405.1:WP_013450358.1
MEKVRVNLNYSKDYSYDILIDHDFVGNELKGISNYNRAHLVVDKNVYELYASFFGGDIFL
LTSSEHNKNLDTVYDILKFLKNKKALRNDTLFAVGGGIVGDVAGFAASIYMRGISFIQVP
TTLLSMVDSSVGGKTGVNLGDVKNLVGSFYQPKKVLIDTLFLATLPEDEFKSGLAEVIKY
ALLFDKELYEFLVHNKSDVVKRKNDVMIKIIKRCCELKAEVVEEDETEQGIRKLLNLGHT
FGHAIEVDSDHEIKHGLAVAKGVYLEALFAYEKGMIGKKVLDDIENIFGTYDYDLNYKVR
DFALFTNAIGSDKKAMSSGIVLALTSDVGSGIIKEGIDLDSIKKFFEGARWMRPQ
Or try a new SitesBLAST search
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