SitesBLAST
Comparing GFF2136 FitnessBrowser__WCS417:GFF2136 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)
8biqA Crystal structure of acyl-coa synthetase from metallosphaera sedula in complex with acetyl-amp
41% identity, 93% coverage: 31:554/566 of query aligns to 33:560/562 of 8biqA
8bitA Crystal structure of acyl-coa synthetase from metallosphaera sedula in complex with coenzyme a and acetyl-amp
41% identity, 93% coverage: 31:554/566 of query aligns to 34:561/562 of 8bitA
- binding [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethanoate: W252 (= W248), G321 (= G317), E322 (= E318), P323 (= P319), D342 (= D338), F343 (≠ G339), Y344 (≠ F340), Q346 (= Q342), T347 (≠ S343), D428 (= D421), F440 (= F433), K449 (= K442), R454 (= R447)
- binding coenzyme a: N128 (≠ L122), W247 (= W243), K249 (= K245), K273 (≠ R268), L274 (≠ F269), Q300 (≠ M295), D452 (= D445), Y453 (= Y446), R483 (= R476), P517 (= P510)
8biqB Crystal structure of acyl-coa synthetase from metallosphaera sedula in complex with acetyl-amp
41% identity, 93% coverage: 31:554/566 of query aligns to 32:559/561 of 8biqB
- binding [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethanoate: G319 (= G317), E320 (= E318), P321 (= P319), D340 (= D338), F341 (≠ G339), Y342 (≠ F340), G343 (= G341), Q344 (= Q342), T345 (≠ S343), D426 (= D421), F438 (= F433), K447 (= K442), R452 (= R447)
3eq6A Crystal structure of human acyl-coa synthetase medium-chain family member 2a (l64p mutation) in a ternary complex with products (see paper)
36% identity, 90% coverage: 33:540/566 of query aligns to 7:531/533 of 3eq6A
- active site: T185 (= T199), T328 (≠ S343), E329 (= E344), N431 (≠ K442), R436 (= R447), K521 (= K530)
- binding adenosine monophosphate: G302 (= G317), E303 (= E318), S304 (≠ P319), E323 (≠ D338), S324 (≠ G339), Y325 (≠ F340), G326 (= G341), Q327 (= Q342), T328 (≠ S343), D410 (= D421), F422 (= F433), R425 (= R436), R436 (= R447)
- binding Butyryl Coenzyme A: W229 (= W243), F255 (= F269), I277 (≠ T291), V301 (≠ A316), S433 (= S444), G434 (≠ D445), Y435 (= Y446), P501 (= P510), Y502 (= Y511), Y504 (≠ R513), R506 (= R515)
2wd9A Crystal structure of human acyl-coa synthetase medium-chain family member 2a (l64p mutation) in complex with ibuprofen (see paper)
36% identity, 90% coverage: 33:540/566 of query aligns to 7:531/533 of 2wd9A
- active site: T185 (= T199), T328 (≠ S343), E329 (= E344), N431 (≠ K442), R436 (= R447), K521 (= K530)
- binding ibuprofen: I230 (≠ A244), L231 (≠ K245), G326 (= G341), Q327 (= Q342), T328 (≠ S343), R436 (= R447)
2vzeA Crystal structure of human acyl-coa synthetase medium-chain family member 2a (l64p mutation) in complex with amp (see paper)
36% identity, 90% coverage: 33:540/566 of query aligns to 7:531/533 of 2vzeA
- active site: T185 (= T199), T328 (≠ S343), E329 (= E344), N431 (≠ K442), R436 (= R447), K521 (= K530)
- binding adenosine monophosphate: W229 (= W243), G302 (= G317), E303 (= E318), S304 (≠ P319), E323 (≠ D338), Y325 (≠ F340), G326 (= G341), Q327 (= Q342), T328 (≠ S343), D410 (= D421), F422 (= F433), R425 (= R436), R436 (= R447)
3c5eA Crystal structure of human acyl-coa synthetase medium-chain family member 2a (l64p mutation) in complex with atp (see paper)
36% identity, 90% coverage: 33:540/566 of query aligns to 10:534/536 of 3c5eA
- active site: T188 (= T199), T331 (≠ S343), E332 (= E344), N434 (≠ K442), R439 (= R447), K524 (= K530)
- binding adenosine-5'-triphosphate: T188 (= T199), S189 (= S200), G190 (= G201), T191 (= T202), S192 (≠ T203), G305 (= G317), E306 (= E318), S307 (≠ P319), G329 (= G341), Q330 (= Q342), T331 (≠ S343), D413 (= D421), F425 (= F433), R428 (= R436), K524 (= K530)
- binding magnesium ion: M450 (≠ I458), H452 (= H460), V455 (= V463)
3b7wA Crystal structure of human acyl-coa synthetase medium-chain family member 2a, with l64p mutation (see paper)
36% identity, 90% coverage: 33:540/566 of query aligns to 11:535/537 of 3b7wA
Q08AH3 Acyl-coenzyme A synthetase ACSM2A, mitochondrial; Acyl-CoA synthetase medium-chain family member 2A; Benzoate--CoA ligase; Butyrate--CoA ligase 2A; Butyryl-coenzyme A synthetase 2A; Middle-chain acyl-CoA synthetase 2A; EC 6.2.1.2; EC 6.2.1.25 from Homo sapiens (Human) (see 4 papers)
36% identity, 92% coverage: 33:551/566 of query aligns to 43:577/577 of Q08AH3
- Q139 (≠ L122) binding
- 221:229 (vs. 199:207, 67% identical) binding
- ESYGQT 359:364 (≠ DGFGQS 338:343) binding
- T364 (≠ S343) binding
- D446 (= D421) binding
- R461 (= R436) binding
- SGY 469:471 (≠ SDY 444:446) binding
- R472 (= R447) binding
- R501 (= R476) binding
- S513 (vs. gap) to L: in dbSNP:rs1133607
- K532 (≠ L501) binding
- YPR 540:542 (≠ RVR 513:515) binding
- K557 (= K530) binding
3gpcA Crystal structure of human acyl-coa synthetase medium-chain family member 2a (l64p mutation) in a complex with coa (see paper)
36% identity, 90% coverage: 33:540/566 of query aligns to 8:530/532 of 3gpcA
- active site: T186 (= T199), T327 (≠ S343), E328 (= E344), N430 (≠ K442), R435 (= R447), K520 (= K530)
- binding coenzyme a: G301 (= G317), E302 (= E318), S303 (≠ P319), E322 (≠ D338), Y324 (≠ F340), G325 (= G341), Q326 (= Q342), T327 (≠ S343), D409 (= D421), F421 (= F433), R424 (= R436), T516 (= T526), K520 (= K530), Q522 (≠ R532)
- binding magnesium ion: H448 (= H460), V451 (= V463)
3dayA Crystal structure of human acyl-coa synthetase medium-chain family member 2a (l64p mutation) in complex with amp-cpp (see paper)
36% identity, 90% coverage: 33:540/566 of query aligns to 11:533/535 of 3dayA
- active site: T189 (= T199), T332 (≠ S343), E333 (= E344), N435 (≠ K442), R440 (= R447), K523 (= K530)
- binding diphosphomethylphosphonic acid adenosyl ester: T189 (= T199), S190 (= S200), G191 (= G201), T192 (= T202), S193 (≠ T203), K197 (= K207), G306 (= G317), E307 (= E318), S308 (≠ P319), Y329 (≠ F340), G330 (= G341), Q331 (= Q342), T332 (≠ S343), D414 (= D421), F426 (= F433), R429 (= R436), K523 (= K530)
- binding magnesium ion: M451 (≠ I458), H453 (= H460), V456 (= V463)
4wv3B Crystal structure of the anthranilate coa ligase auaeii in complex with anthranoyl-amp (see paper)
32% identity, 84% coverage: 62:538/566 of query aligns to 33:510/518 of 4wv3B
- active site: S175 (≠ T199), T320 (≠ S343), E321 (= E344), K418 (= K442), W423 (≠ R447), K502 (= K530)
- binding 5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine: F220 (≠ W243), T221 (≠ A244), F222 (≠ K245), A293 (= A316), S294 (≠ G317), E295 (= E318), A296 (≠ P319), G316 (= G339), I317 (≠ F340), G318 (= G341), C319 (≠ Q342), T320 (≠ S343), D397 (= D421), H409 (≠ F433), R412 (= R436), K502 (= K530)
6m2uA The crystal structure of benzoate coenzyme a ligase double mutant (h333a/i334a) in complex with 2-chloro-1,3-thiazole-5-carboxylate-amp (see paper)
32% identity, 84% coverage: 66:538/566 of query aligns to 35:515/518 of 6m2uA
- active site: S176 (≠ T199), T196 (≠ V218), T324 (≠ S343), E325 (= E344), K422 (= K442), Y427 (≠ R447), K507 (= K530)
- binding adenosine monophosphate: G298 (= G317), E299 (= E318), A300 (≠ P319), D319 (= D338), G320 (= G339), I321 (≠ F340), G322 (= G341), T324 (≠ S343), D401 (= D421), R416 (= R436), K422 (= K442), Y427 (≠ R447)
- binding 2-chloranyl-1,3-thiazole-5-carboxylic acid: Y223 (≠ K245), A297 (= A316), G322 (= G341), S323 (≠ Q342), A328 (≠ T346)
6m2tA The crystal structure of benzoate coenzyme a ligase double mutant (h333a/i334a) in complex with 2-methyl-thiazole-5 carboxylate-amp
32% identity, 84% coverage: 66:538/566 of query aligns to 35:515/518 of 6m2tA
- active site: S176 (≠ T199), T196 (≠ V218), T324 (≠ S343), E325 (= E344), K422 (= K442), Y427 (≠ R447), K507 (= K530)
- binding 2-methyl-1,3-thiazole-5-carboxylic acid: Y223 (≠ K245), G322 (= G341), S323 (≠ Q342), A328 (≠ T346)
- binding adenosine monophosphate: G298 (= G317), E299 (= E318), A300 (≠ P319), G320 (= G339), I321 (≠ F340), S323 (≠ Q342), T324 (≠ S343), D401 (= D421), R416 (= R436), K422 (= K442), Y427 (≠ R447)
4rm2A Crystal structure of a benzoate coenzyme a ligase with 2-fluoro benzoic acid (see paper)
31% identity, 84% coverage: 66:538/566 of query aligns to 35:515/516 of 4rm2A
- active site: S176 (≠ T199), T196 (≠ V218), T324 (≠ S343), E325 (= E344), K422 (= K442), Y427 (≠ R447), K507 (= K530)
- binding 2-fluorobenzoic acid: A216 (≠ I238), A222 (= A244), Y223 (≠ K245), P246 (= P272), T247 (≠ A273), V251 (≠ A277), F267 (≠ W293), G269 (vs. gap), A270 (vs. gap), G273 (vs. gap), M277 (= M295), A297 (= A316), G298 (= G317), I321 (≠ F340), G322 (= G341), S323 (≠ Q342), H328 (≠ A347), K422 (= K442)
4rm3A Crystal structure of a benzoate coenzyme a ligase with 2-furoic acid (see paper)
31% identity, 84% coverage: 66:538/566 of query aligns to 36:516/518 of 4rm3A
- active site: S177 (≠ T199), T197 (≠ V218), T325 (≠ S343), E326 (= E344), K423 (= K442), Y428 (≠ R447), K508 (= K530)
- binding 2-furoic acid: A223 (= A244), Y224 (≠ K245), A298 (= A316), G323 (= G341), H329 (≠ A347), I330 (≠ L348), K423 (= K442)
4zjzA Crystal structure of a benzoate coenzyme a ligase with benzoyl-amp (see paper)
31% identity, 84% coverage: 66:538/566 of query aligns to 35:515/517 of 4zjzA
- active site: S176 (≠ T199), T196 (≠ V218), T324 (≠ S343), E325 (= E344), K422 (= K442), Y427 (≠ R447), K507 (= K530)
- binding 5'-O-[(R)-(benzoyloxy)(hydroxy)phosphoryl]adenosine: A222 (= A244), Y223 (≠ K245), A297 (= A316), G298 (= G317), E299 (= E318), A300 (≠ P319), G320 (= G339), I321 (≠ F340), G322 (= G341), S323 (≠ Q342), T324 (≠ S343), H328 (≠ A347), I329 (≠ L348), D401 (= D421), R416 (= R436), K422 (= K442), Y427 (≠ R447)
4rlfB Crystal structure of a benzoate coenzyme a ligase with p-toluic acid and o-toluic acid (see paper)
31% identity, 84% coverage: 66:538/566 of query aligns to 35:515/519 of 4rlfB
- active site: S176 (≠ T199), T196 (≠ V218), T324 (≠ S343), E325 (= E344), K422 (= K442), Y427 (≠ R447), K507 (= K530)
- binding 2-methylbenzoic acid: A222 (= A244), Y223 (≠ K245), G298 (= G317), I321 (≠ F340), G322 (= G341), S323 (≠ Q342), H328 (≠ A347)
- binding 4-methylbenzoic acid: A216 (≠ I238), P246 (= P272), P248 (≠ L274), G269 (vs. gap), A270 (vs. gap), G273 (vs. gap)
4rmnA Crystal structure of a benzoate coenzyme a ligase with 2-thiophene carboxylic acid (see paper)
31% identity, 84% coverage: 66:538/566 of query aligns to 35:515/518 of 4rmnA
- active site: S176 (≠ T199), T196 (≠ V218), T324 (≠ S343), E325 (= E344), K422 (= K442), Y427 (≠ R447), K507 (= K530)
- binding thiophene-2-carboxylic acid: A217 (≠ S239), F221 (≠ W243), Y223 (≠ K245), G269 (vs. gap), A270 (vs. gap), A297 (= A316), G298 (= G317), G322 (= G341), S323 (≠ Q342), H328 (≠ A347), I329 (≠ L348), K422 (= K442), G425 (≠ D445)
P27550 Acetyl-coenzyme A synthetase; AcCoA synthetase; Acs; Acetate--CoA ligase; Acyl-activating enzyme; EC 6.2.1.1 from Escherichia coli (strain K12) (see paper)
28% identity, 93% coverage: 16:539/566 of query aligns to 57:618/652 of P27550
- K609 (= K530) modified: N6-acetyllysine; by autocatalysis
Query Sequence
>GFF2136 FitnessBrowser__WCS417:GFF2136
MTQPFLAARDFLLAHRTDYATAVRDFRWPQLGEFNWALDYFDAMAEGNPADALWIVEEDG
SEQRYSFQQLAARSNQVANHLRALGVNRGDRVLLMLGNDVALWDTMLAAFKLGAVVIPAT
ALLNPDDLRDRIERGQVRHVVVGEAHVHKFAGLAQGCSRICVGSAPAGWVAHNAAFEYPE
QFEAQGRTLATDPMLLYFTSGTTSKPKMVLHSHQSYPVGHLSTMYWIGLQPGDLHLNISS
PGWAKHAWSCLFAPWNAGACIFIHNVARFSAPALLSALERYGVTSLCAPPTVWRMLIQED
LASYRPRLSLRELVGAGEPLNPEIIEQIQQAWGLPLRDGFGQSETTALVGNTPGQLLKPG
SMGRPLPGYQVALLDPDGIPGNEGEVALPLDVRPLGLMLCYEDSPEKTAEVMRDGYYRTG
DTAQIDADGYITFVGRADDVFKASDYRISPFELESALIEHPAVMEVAVVPSPDPLRLAVP
KAFLILAHDEPGSAALAQHILAFAREHLAPYKRVRRIEFVTELPKTISGKIRRVELRQME
VLRRQGDTRGEHEHFEEDFVRPTAES
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