SitesBLAST
Comparing RR42_RS13535 FitnessBrowser__Cup4G11:RR42_RS13535 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)
4wv3B Crystal structure of the anthranilate coa ligase auaeii in complex with anthranoyl-amp (see paper)
35% identity, 87% coverage: 66:550/557 of query aligns to 34:517/518 of 4wv3B
- active site: S175 (≠ T210), T320 (= T351), E321 (= E352), K418 (≠ V447), W423 (≠ N452), K502 (= K535)
- binding 5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine: F220 (= F255), T221 (= T256), F222 (= F257), A293 (= A324), S294 (≠ G325), E295 (= E326), A296 (= A327), G316 (= G347), I317 (= I348), G318 (= G349), C319 (≠ G350), T320 (= T351), D397 (= D426), H409 (≠ Y438), R412 (= R441), K502 (= K535)
4rm2A Crystal structure of a benzoate coenzyme a ligase with 2-fluoro benzoic acid (see paper)
33% identity, 92% coverage: 33:543/557 of query aligns to 5:515/516 of 4rm2A
- active site: S176 (≠ T210), T196 (≠ M230), T324 (= T351), E325 (= E352), K422 (≠ V447), Y427 (≠ N452), K507 (= K535)
- binding 2-fluorobenzoic acid: A216 (≠ T250), A222 (≠ T256), Y223 (≠ F257), P246 (≠ L279), T247 (= T280), V251 (≠ L287), F267 (≠ V296), G269 (≠ T298), A270 (= A299), G273 (≠ F302), M277 (= M306), A297 (= A324), G298 (= G325), I321 (= I348), G322 (= G349), S323 (≠ G350), H328 (= H355), K422 (≠ V447)
4rmnA Crystal structure of a benzoate coenzyme a ligase with 2-thiophene carboxylic acid (see paper)
33% identity, 92% coverage: 33:543/557 of query aligns to 5:515/518 of 4rmnA
- active site: S176 (≠ T210), T196 (≠ M230), T324 (= T351), E325 (= E352), K422 (≠ V447), Y427 (≠ N452), K507 (= K535)
- binding thiophene-2-carboxylic acid: A217 (≠ P251), F221 (= F255), Y223 (≠ F257), G269 (≠ T298), A270 (= A299), A297 (= A324), G298 (= G325), G322 (= G349), S323 (≠ G350), H328 (= H355), I329 (= I356), K422 (≠ V447), G425 (= G450)
4zjzA Crystal structure of a benzoate coenzyme a ligase with benzoyl-amp (see paper)
33% identity, 92% coverage: 33:543/557 of query aligns to 5:515/517 of 4zjzA
- active site: S176 (≠ T210), T196 (≠ M230), T324 (= T351), E325 (= E352), K422 (≠ V447), Y427 (≠ N452), K507 (= K535)
- binding 5'-O-[(R)-(benzoyloxy)(hydroxy)phosphoryl]adenosine: A222 (≠ T256), Y223 (≠ F257), A297 (= A324), G298 (= G325), E299 (= E326), A300 (= A327), G320 (= G347), I321 (= I348), G322 (= G349), S323 (≠ G350), T324 (= T351), H328 (= H355), I329 (= I356), D401 (= D426), R416 (= R441), K422 (≠ V447), Y427 (≠ N452)
4rlfB Crystal structure of a benzoate coenzyme a ligase with p-toluic acid and o-toluic acid (see paper)
33% identity, 92% coverage: 33:543/557 of query aligns to 5:515/519 of 4rlfB
- active site: S176 (≠ T210), T196 (≠ M230), T324 (= T351), E325 (= E352), K422 (≠ V447), Y427 (≠ N452), K507 (= K535)
- binding 2-methylbenzoic acid: A222 (≠ T256), Y223 (≠ F257), G298 (= G325), I321 (= I348), G322 (= G349), S323 (≠ G350), H328 (= H355)
- binding 4-methylbenzoic acid: A216 (≠ T250), P246 (≠ L279), P248 (= P281), G269 (≠ T298), A270 (= A299), G273 (≠ F302)
4rm3A Crystal structure of a benzoate coenzyme a ligase with 2-furoic acid (see paper)
33% identity, 92% coverage: 33:543/557 of query aligns to 6:516/518 of 4rm3A
- active site: S177 (≠ T210), T197 (≠ M230), T325 (= T351), E326 (= E352), K423 (≠ V447), Y428 (≠ N452), K508 (= K535)
- binding 2-furoic acid: A223 (≠ T256), Y224 (≠ F257), A298 (= A324), G323 (= G349), H329 (= H355), I330 (= I356), K423 (≠ V447)
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)
33% identity, 92% coverage: 33:543/557 of query aligns to 5:515/518 of 6m2uA
- active site: S176 (≠ T210), T196 (≠ M230), T324 (= T351), E325 (= E352), K422 (≠ V447), Y427 (≠ N452), K507 (= K535)
- binding adenosine monophosphate: G298 (= G325), E299 (= E326), A300 (= A327), D319 (= D346), G320 (= G347), I321 (= I348), G322 (= G349), T324 (= T351), D401 (= D426), R416 (= R441), K422 (≠ V447), Y427 (≠ N452)
- binding 2-chloranyl-1,3-thiazole-5-carboxylic acid: Y223 (≠ F257), A297 (= A324), G322 (= G349), S323 (≠ G350), A328 (≠ H355)
6m2tA The crystal structure of benzoate coenzyme a ligase double mutant (h333a/i334a) in complex with 2-methyl-thiazole-5 carboxylate-amp
33% identity, 92% coverage: 33:543/557 of query aligns to 5:515/518 of 6m2tA
- active site: S176 (≠ T210), T196 (≠ M230), T324 (= T351), E325 (= E352), K422 (≠ V447), Y427 (≠ N452), K507 (= K535)
- binding 2-methyl-1,3-thiazole-5-carboxylic acid: Y223 (≠ F257), G322 (= G349), S323 (≠ G350), A328 (≠ H355)
- binding adenosine monophosphate: G298 (= G325), E299 (= E326), A300 (= A327), G320 (= G347), I321 (= I348), S323 (≠ G350), T324 (= T351), D401 (= D426), R416 (= R441), K422 (≠ V447), Y427 (≠ N452)
3c5eA Crystal structure of human acyl-coa synthetase medium-chain family member 2a (l64p mutation) in complex with atp (see paper)
31% identity, 86% coverage: 63:542/557 of query aligns to 43:531/536 of 3c5eA
- active site: T188 (= T210), T331 (= T351), E332 (= E352), N434 (≠ V447), R439 (≠ N452), K524 (= K535)
- binding adenosine-5'-triphosphate: T188 (= T210), S189 (= S211), G190 (= G212), T191 (= T213), S192 (≠ T214), G305 (= G325), E306 (= E326), S307 (≠ A327), G329 (= G349), Q330 (≠ G350), T331 (= T351), D413 (= D426), F425 (≠ Y438), R428 (= R441), K524 (= K535)
- binding magnesium ion: M450 (= M463), H452 (= H465), V455 (= V468)
3eq6A Crystal structure of human acyl-coa synthetase medium-chain family member 2a (l64p mutation) in a ternary complex with products (see paper)
31% identity, 86% coverage: 63:542/557 of query aligns to 40:528/533 of 3eq6A
- active site: T185 (= T210), T328 (= T351), E329 (= E352), N431 (≠ V447), R436 (≠ N452), K521 (= K535)
- binding adenosine monophosphate: G302 (= G325), E303 (= E326), S304 (≠ A327), E323 (≠ D346), S324 (≠ G347), Y325 (≠ I348), G326 (= G349), Q327 (≠ G350), T328 (= T351), D410 (= D426), F422 (≠ Y438), R425 (= R441), R436 (≠ N452)
- binding Butyryl Coenzyme A: W229 (≠ G258), F255 (≠ L279), I277 (≠ T301), V301 (≠ A324), S433 (≠ A449), G434 (= G450), Y435 (= Y451), P501 (= P515), Y502 (= Y516), Y504 (= Y518), R506 (= R520)
2wd9A Crystal structure of human acyl-coa synthetase medium-chain family member 2a (l64p mutation) in complex with ibuprofen (see paper)
31% identity, 86% coverage: 63:542/557 of query aligns to 40:528/533 of 2wd9A
- active site: T185 (= T210), T328 (= T351), E329 (= E352), N431 (≠ V447), R436 (≠ N452), K521 (= K535)
- binding ibuprofen: I230 (≠ L259), L231 (≠ G260), G326 (= G349), Q327 (≠ G350), T328 (= T351), R436 (≠ N452)
2vzeA Crystal structure of human acyl-coa synthetase medium-chain family member 2a (l64p mutation) in complex with amp (see paper)
31% identity, 86% coverage: 63:542/557 of query aligns to 40:528/533 of 2vzeA
- active site: T185 (= T210), T328 (= T351), E329 (= E352), N431 (≠ V447), R436 (≠ N452), K521 (= K535)
- binding adenosine monophosphate: W229 (≠ G258), G302 (= G325), E303 (= E326), S304 (≠ A327), E323 (≠ D346), Y325 (≠ I348), G326 (= G349), Q327 (≠ G350), T328 (= T351), D410 (= D426), F422 (≠ Y438), R425 (= R441), R436 (≠ N452)
3b7wA Crystal structure of human acyl-coa synthetase medium-chain family member 2a, with l64p mutation (see paper)
31% identity, 86% coverage: 63:542/557 of query aligns to 44:532/537 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)
30% identity, 86% coverage: 63:542/557 of query aligns to 76:564/577 of Q08AH3
- Q139 (≠ L126) binding
- 221:229 (vs. 210:218, 78% identical) binding
- ESYGQT 359:364 (≠ DGIGGT 346:351) binding
- T364 (= T351) binding
- D446 (= D426) binding
- R461 (= R441) binding
- SGY 469:471 (≠ AGY 449:451) binding
- R472 (≠ N452) binding
- R501 (= R481) binding
- S513 (≠ P493) to L: in dbSNP:rs1133607
- K532 (= K510) binding
- YPR 540:542 (= YPR 518:520) binding
- K557 (= K535) binding
3dayA Crystal structure of human acyl-coa synthetase medium-chain family member 2a (l64p mutation) in complex with amp-cpp (see paper)
30% identity, 86% coverage: 63:542/557 of query aligns to 44:530/535 of 3dayA
- active site: T189 (= T210), T332 (= T351), E333 (= E352), N435 (≠ V447), R440 (≠ N452), K523 (= K535)
- binding diphosphomethylphosphonic acid adenosyl ester: T189 (= T210), S190 (= S211), G191 (= G212), T192 (= T213), S193 (≠ T214), K197 (= K218), G306 (= G325), E307 (= E326), S308 (≠ A327), Y329 (≠ I348), G330 (= G349), Q331 (≠ G350), T332 (= T351), D414 (= D426), F426 (≠ Y438), R429 (= R441), K523 (= K535)
- binding magnesium ion: M451 (= M463), H453 (= H465), V456 (= V468)
3gpcA Crystal structure of human acyl-coa synthetase medium-chain family member 2a (l64p mutation) in a complex with coa (see paper)
30% identity, 86% coverage: 63:542/557 of query aligns to 41:527/532 of 3gpcA
- active site: T186 (= T210), T327 (= T351), E328 (= E352), N430 (≠ V447), R435 (≠ N452), K520 (= K535)
- binding coenzyme a: G301 (= G325), E302 (= E326), S303 (≠ A327), E322 (≠ D346), Y324 (≠ I348), G325 (= G349), Q326 (≠ G350), T327 (= T351), D409 (= D426), F421 (≠ Y438), R424 (= R441), T516 (= T531), K520 (= K535), Q522 (= Q537)
- binding magnesium ion: H448 (= H465), V451 (= V468)
4gxqA Crystal structure of atp bound rpmatb-bxbclm chimera b1 (see paper)
30% identity, 85% coverage: 68:543/557 of query aligns to 29:499/506 of 4gxqA
- active site: T163 (= T210), N183 (≠ C231), H207 (≠ F255), T303 (= T351), E304 (= E352), I403 (≠ V447), N408 (= N452), A491 (≠ K535)
- binding adenosine-5'-triphosphate: T163 (= T210), S164 (= S211), G165 (= G212), T166 (= T213), T167 (= T214), H207 (≠ F255), S277 (≠ G325), A278 (≠ E326), P279 (≠ A327), E298 (≠ D346), M302 (≠ G350), T303 (= T351), D382 (= D426), R397 (= R441)
- binding carbonate ion: H207 (≠ F255), S277 (≠ G325), R299 (≠ G347), G301 (= G349)
8biqB Crystal structure of acyl-coa synthetase from metallosphaera sedula in complex with acetyl-amp
30% identity, 91% coverage: 35:541/557 of query aligns to 34:541/561 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 (= G325), E320 (= E326), P321 (≠ A327), D340 (= D346), F341 (≠ G347), Y342 (≠ I348), G343 (= G349), Q344 (≠ G350), T345 (= T351), D426 (= D426), F438 (≠ Y438), K447 (≠ V447), R452 (≠ N452)
P9WQD1 Acetyl-coenzyme A synthetase; AcCoA synthetase; Acs; Acetate--CoA ligase; Acyl-activating enzyme; EC 6.2.1.1 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see 2 papers)
30% identity, 92% coverage: 36:547/557 of query aligns to 73:629/651 of P9WQD1
- K617 (= K535) modified: N6-acetyllysine; mutation to R: Complete loss of acetyl-coenzyme A synthetase activity.
8biqA Crystal structure of acyl-coa synthetase from metallosphaera sedula in complex with acetyl-amp
30% identity, 91% coverage: 35:541/557 of query aligns to 35:542/562 of 8biqA
Query Sequence
>RR42_RS13535 FitnessBrowser__Cup4G11:RR42_RS13535
MASTAHLDTYALDRLPPPQQWPAFLFNADTRYPERMNCALELVERHVREGRGERVAIRYE
QDGAHRTVSYAELAALSNRIAHVLTGDMKLVPGSRVLLRGPNNLMMAACWLAVVKAGLIA
VPTMPLLRAKELKQVIDRAAVSAALCDERLREELEANLKPGGEHHCPSLTQALYFNSSGA
GSVEAAMANKPDGFEACDTAADDICLIAFTSGTTGQPKGTVHFHRDVIAMCDLFPRHVLK
PGPDDIFCGTPPLAFTFGLGGILCFPLRVGASTVLAERLTPESLLALIQSWRATIVFTAP
TFYRQMAALAPGYDLSSLQKSVSAGEALPDATRQSWKAATGIEMTDGIGGTEMMHIFISS
AGADVRPGAIGKVVPGYIAQIVDEQMQPVPHGTVGKLAVRGPTGCRYLDDPRQANYVKDG
WNLPGDTFKADADGYYYYQARSDDMIVSAGYNIAGPEVESALMRHEAVAECGVVGMPDPE
RGQIVAAYVVLRPGVAASDETCAALQSYVKAEIAPYKYPRKVIFVDALPRTETGKLQRFR
LRQMAEQSGAPEGARQP
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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