SitesBLAST
Comparing WP_012591140.1 NCBI__GCF_000021745.1:WP_012591140.1 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)
P12995 Adenosylmethionine-8-amino-7-oxononanoate aminotransferase; 7,8-diamino-pelargonic acid aminotransferase; DAPA AT; DAPA aminotransferase; 7,8-diaminononanoate synthase; DANS; Diaminopelargonic acid synthase; EC 2.6.1.62 from Escherichia coli (strain K12) (see 4 papers)
53% identity, 95% coverage: 13:413/424 of query aligns to 12:417/429 of P12995
- Y17 (= Y18) mutation to F: Severely reduces the aminotransferase activity.
- W52 (= W53) binding substrate
- GS 112:113 (= GS 113:114) binding pyridoxal 5'-phosphate
- Y144 (= Y146) mutation to F: Severely reduces the aminotransferase activity.
- D147 (= D149) mutation to N: Loss of aminotransferase activity.
- D245 (= D240) binding pyridoxal 5'-phosphate
- R253 (= R248) mutation to A: Has only a small effect on the rate of reaction with DAPA.; mutation to K: Increases aminotransferase activity toward SAM.; mutation to M: Loss of aminotransferase activity.; mutation to Q: Increases aminotransferase activity toward SAM.
- K274 (= K269) binding substrate; modified: N6-(pyridoxal phosphate)lysine
- G307 (= G303) binding substrate
- PT 308:309 (= PT 304:305) binding pyridoxal 5'-phosphate
- R391 (= R387) binding substrate; mutation to A: Reduces aminotransferase activity.
6ed7A Crystal structure of 7,8-diaminopelargonic acid synthase bound to inhibitor mac13772
53% identity, 95% coverage: 13:413/424 of query aligns to 12:417/429 of 6ed7A
- active site: Y17 (= Y18), Y144 (= Y146), D245 (= D240), K274 (= K269)
- binding 2-[(2-nitrophenyl)sulfanyl]acetohydrazide: Y17 (= Y18), W52 (= W53), W52 (= W53), Y144 (= Y146), D147 (= D149), A217 (= A212), K274 (= K269), R391 (= R387), F393 (= F389), F393 (= F389)
- binding pyridoxal-5'-phosphate: G112 (= G113), S113 (= S114), Y144 (= Y146), H145 (= H147), D245 (= D240), I247 (≠ V242), K274 (= K269)
1dtyA Crystal structure of adenosylmethionine-8-amino-7-oxonanoate aminotransferase with pyridoxal phosphate cofactor.
53% identity, 95% coverage: 13:413/424 of query aligns to 12:417/429 of 1dtyA
- active site: Y17 (= Y18), Y144 (= Y146), E211 (= E206), D245 (= D240), A248 (≠ F243), K274 (= K269), Y398 (= Y394)
- binding pyridoxal-5'-phosphate: G112 (= G113), S113 (= S114), Y144 (= Y146), H145 (= H147), D245 (= D240), I247 (≠ V242), K274 (= K269)
1mlzA Crystal structure of 7,8-diaminopelargonic acid synthase in complex with the trans-isomer of amiclenomycin. (see paper)
53% identity, 95% coverage: 13:413/424 of query aligns to 12:416/427 of 1mlzA
- active site: Y17 (= Y18), Y144 (= Y146), E210 (= E206), D244 (= D240), A247 (≠ F243), K273 (= K269), Y397 (= Y394)
- binding pyridoxal-5'-phosphate: G112 (= G113), S113 (= S114), Y144 (= Y146), H145 (= H147), D244 (= D240), I246 (≠ V242), K273 (= K269), P307 (= P304), T308 (= T305)
- binding trans-amiclenomycin: W52 (= W53), W53 (= W54), Y144 (= Y146), K273 (= K269), R390 (= R387), F392 (= F389)
1mlyA Crystal structure of 7,8-diaminopelargonic acid synthase in complex with the cis isomer of amiclenomycin (see paper)
53% identity, 95% coverage: 13:413/424 of query aligns to 12:416/427 of 1mlyA
- active site: Y17 (= Y18), Y144 (= Y146), E210 (= E206), D244 (= D240), A247 (≠ F243), K273 (= K269), Y397 (= Y394)
- binding cis-amiclenomycin: W52 (= W53), W53 (= W54), K273 (= K269), R390 (= R387), F392 (= F389)
- binding pyridoxal-5'-phosphate: G112 (= G113), S113 (= S114), Y144 (= Y146), H145 (= H147), D244 (= D240), I246 (≠ V242), K273 (= K269), P307 (= P304), T308 (= T305)
1qj3A Crystal structure of 7,8-diaminopelargonic acid synthase in complex with 7-keto-8-aminopelargonic acid (see paper)
53% identity, 95% coverage: 13:413/424 of query aligns to 12:405/416 of 1qj3A
- active site: Y17 (= Y18), Y144 (= Y146), E201 (= E206), D235 (= D240), A238 (≠ F243), K264 (= K269), Y386 (= Y394)
- binding 7-keto-8-aminopelargonic acid: Y17 (= Y18), W52 (= W53), Y144 (= Y146), K264 (= K269), R379 (= R387), F381 (= F389)
- binding pyridoxal-5'-phosphate: G112 (= G113), S113 (= S114), Y144 (= Y146), H145 (= H147), G146 (= G148), D235 (= D240), I237 (≠ V242), A238 (≠ F243), K264 (= K269)
4cxqA Mycobaterium tuberculosis transaminase bioa complexed with substrate kapa (see paper)
49% identity, 95% coverage: 13:416/424 of query aligns to 13:421/427 of 4cxqA
- active site: Y18 (= Y18), Y149 (= Y146), E212 (= E206), D246 (= D240), A249 (≠ F243), K275 (= K269), Y399 (= Y394)
- binding 7-keto-8-aminopelargonic acid: W56 (= W53), Y149 (= Y146), G308 (= G303), T310 (= T305), R392 (= R387)
- binding pyridoxal-5'-phosphate: G116 (= G113), S117 (= S114), Y149 (= Y146), H150 (= H147), G151 (= G148), E212 (= E206), D246 (= D240), I248 (≠ V242), K275 (= K269), P309 (= P304), T310 (= T305)
4w1vA Crystal structure of 7,8-diaminopelargonic acid synthase (bioa) from mycobacterium tuberculosis, complexed with a thiazole inhibitor (see paper)
49% identity, 95% coverage: 13:416/424 of query aligns to 13:419/425 of 4w1vA
- active site: Y18 (= Y18), Y147 (= Y146), E210 (= E206), D244 (= D240), A247 (≠ F243), K273 (= K269), Y397 (= Y394)
- binding dimethyl (2R)-5-(3-fluorophenyl)-1H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate 2-oxide: P17 (= P17), Y18 (= Y18), W54 (= W53), M81 (= M80), G83 (= G82), Y147 (= Y146), G306 (= G303), P307 (= P304), T308 (= T305), F392 (= F389)
- binding pyridoxal-5'-phosphate: G114 (= G113), S115 (= S114), Y147 (= Y146), H148 (= H147), E210 (= E206), D244 (= D240), I246 (≠ V242), K273 (= K269)
4cxrA Mycobaterium tuberculosis transaminase bioa complexed with 1-(1,3- benzothiazol-2-yl)methanamine (see paper)
49% identity, 95% coverage: 13:416/424 of query aligns to 13:419/425 of 4cxrA
- active site: Y18 (= Y18), Y147 (= Y146), E210 (= E206), D244 (= D240), A247 (≠ F243), K273 (= K269), Y397 (= Y394)
- binding 1-(1,3-benzothiazol-2-yl)methanamine: Y18 (= Y18), W54 (= W53), W55 (= W54), A216 (= A212)
- binding pyridoxal-5'-phosphate: G114 (= G113), S115 (= S114), Y147 (= Y146), H148 (= H147), E210 (= E206), D244 (= D240), I246 (≠ V242), K273 (= K269), P307 (= P304), T308 (= T305)
5te2A Crystal structure of 7,8-diaminopelargonic acid synthase (bioa) from mycobacterium tuberculosis, complexed with a mechanism-based inhibitor (see paper)
48% identity, 95% coverage: 13:416/424 of query aligns to 13:422/428 of 5te2A
- active site: Y18 (= Y18), Y150 (= Y146), E213 (= E206), D247 (= D240), A250 (≠ F243), K276 (= K269), Y400 (= Y394)
- binding [5-hydroxy-4-({[6-(3-hydroxypropyl)-4-oxo-1,4-dihydropyridin-3-yl]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate: Y18 (= Y18), W57 (= W53), G117 (= G113), S118 (= S114), Y150 (= Y146), H151 (= H147), G152 (= G148), D247 (= D240), I249 (≠ V242), K276 (= K269), G309 (= G303), P310 (= P304), T311 (= T305)
4xjoA Crystal structure of 7,8-diaminopelargonic acid synthase (bioa) from mycobacterium tuberculosis, complexed with an inhibitor optimized from hts lead (see paper)
48% identity, 95% coverage: 13:416/424 of query aligns to 13:422/428 of 4xjoA
- active site: Y18 (= Y18), Y150 (= Y146), E213 (= E206), D247 (= D240), A250 (≠ F243), K276 (= K269), Y400 (= Y394)
- binding 5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-inden-1-one: P17 (= P17), Y18 (= Y18), W57 (= W53), M84 (= M80), G86 (= G82), Y150 (= Y146), G165 (≠ E161), G166 (= G162), A219 (= A212), P310 (= P304), T311 (= T305)
- binding pyridoxal-5'-phosphate: G117 (= G113), S118 (= S114), Y150 (= Y146), H151 (= H147), G152 (= G148), E213 (= E206), D247 (= D240), I249 (≠ V242), K276 (= K269), P310 (= P304), T311 (= T305)
4xewA Crystal structure of 7,8-diaminopelargonic acid synthase (bioa) from mycobacterium tuberculosis, complexed with a hts lead compound (see paper)
48% identity, 95% coverage: 13:416/424 of query aligns to 13:422/428 of 4xewA
- active site: Y18 (= Y18), Y150 (= Y146), E213 (= E206), D247 (= D240), A250 (≠ F243), K276 (= K269), Y400 (= Y394)
- binding 6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one: P17 (= P17), Y18 (= Y18), W57 (= W53), Y150 (= Y146), P310 (= P304), T311 (= T305), R393 (= R387), F395 (= F389)
- binding pyridoxal-5'-phosphate: G117 (= G113), S118 (= S114), Y150 (= Y146), H151 (= H147), G152 (= G148), E213 (= E206), D247 (= D240), I249 (≠ V242), K276 (= K269), P310 (= P304), T311 (= T305)
4wyfA Crystal structure of 7,8-diaminopelargonic acid synthase (bioa) from mycobacterium tuberculosis, complexed with a dsf fragment hit (see paper)
48% identity, 95% coverage: 13:416/424 of query aligns to 13:422/428 of 4wyfA
- active site: Y18 (= Y18), Y150 (= Y146), E213 (= E206), D247 (= D240), A250 (≠ F243), K276 (= K269), Y400 (= Y394)
- binding N-(1-oxo-1H-inden-5-yl)acetamide: M84 (= M80), G86 (= G82), G309 (= G303), P310 (= P304), T311 (= T305)
- binding pyridoxal-5'-phosphate: G117 (= G113), S118 (= S114), Y150 (= Y146), H151 (= H147), G152 (= G148), E213 (= E206), D247 (= D240), I249 (≠ V242), K276 (= K269), P310 (= P304), T311 (= T305)
4wycA Crystal structure of 7,8-diaminopelargonic acid synthase (bioa) from mycobacterium tuberculosis, complexed with a thiazole benzamide inhibitor (see paper)
48% identity, 95% coverage: 13:416/424 of query aligns to 13:422/428 of 4wycA
- active site: Y18 (= Y18), Y150 (= Y146), E213 (= E206), D247 (= D240), A250 (≠ F243), K276 (= K269), Y400 (= Y394)
- binding 4-(1H-imidazol-1-yl)benzamide: P17 (= P17), Y18 (= Y18), W57 (= W53), M84 (= M80), G86 (= G82), Y150 (= Y146), G309 (= G303)
- binding pyridoxal-5'-phosphate: G117 (= G113), S118 (= S114), Y150 (= Y146), H151 (= H147), G152 (= G148), E213 (= E206), D247 (= D240), I249 (≠ V242), K276 (= K269), P310 (= P304), T311 (= T305)
4mqrA Mycobaterium tuberculosis transaminase bioa complexed with e)-5- hydroxy-4-(((z)-isonicotinoyldiazenyl)methylene)-6-methyl-1,4- dihydropyridin-3-yl)methyl phosphate (see paper)
48% identity, 95% coverage: 13:416/424 of query aligns to 13:422/428 of 4mqrA
- active site: Y18 (= Y18), Y150 (= Y146), E213 (= E206), D247 (= D240), A250 (≠ F243), K276 (= K269), Y400 (= Y394)
- binding [(4Z)-5-hydroxy-6-methyl-4-{[(E)-(pyridin-4-ylcarbonyl)diazenyl]methylidene}-1,4-dihydropyridin-3-yl]methyl dihydrogen phosphate: Y18 (= Y18), W57 (= W53), G117 (= G113), S118 (= S114), Y150 (= Y146), H151 (= H147), D247 (= D240), I249 (≠ V242), K276 (= K269), G309 (= G303), P310 (= P304), T311 (= T305)
4mqqA Mycobaterium tuberculosis transaminase bioa complexed with benzo[d]thiazole-2-carbohydrazide (see paper)
48% identity, 95% coverage: 13:416/424 of query aligns to 13:422/428 of 4mqqA
- active site: Y18 (= Y18), Y150 (= Y146), E213 (= E206), D247 (= D240), A250 (≠ F243), K276 (= K269), Y400 (= Y394)
- binding (4-{[(E)-(1,3-benzothiazol-2-ylcarbonyl)diazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate: Y18 (= Y18), W57 (= W53), W58 (= W54), G117 (= G113), S118 (= S114), Y150 (= Y146), H151 (= H147), D247 (= D240), I249 (≠ V242), K276 (= K269), P310 (= P304), T311 (= T305)
4mqpA Mycobaterium tuberculosis transaminase bioa complexed with 2- hydrazinylbenzo[d]thiazole (see paper)
48% identity, 95% coverage: 13:416/424 of query aligns to 13:422/428 of 4mqpA
- active site: Y18 (= Y18), Y150 (= Y146), E213 (= E206), D247 (= D240), A250 (≠ F243), K276 (= K269), Y400 (= Y394)
- binding (4-{[(E)-1,3-benzothiazol-2-yldiazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate: W57 (= W53), W58 (= W54), G117 (= G113), S118 (= S114), Y150 (= Y146), H151 (= H147), E213 (= E206), A219 (= A212), D247 (= D240), I249 (≠ V242), K276 (= K269), Y400 (= Y394)
5kgtA Crystal structure of 7,8-diaminopelargonic acid synthase (bioa) from mycobacterium tuberculosis, complexed with an inhibitor optimized from hts lead: 1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1- yl]phenyl]ethanone (see paper)
48% identity, 95% coverage: 13:416/424 of query aligns to 13:422/429 of 5kgtA
- active site: Y18 (= Y18), Y150 (= Y146), E213 (= E206), D247 (= D240), A250 (≠ F243), K276 (= K269), Y400 (= Y394)
- binding 1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1-yl]phenyl]ethanone: M84 (= M80), G86 (= G82), G309 (= G303), T311 (= T305)
- binding pyridoxal-5'-phosphate: S116 (= S112), G117 (= G113), S118 (= S114), Y150 (= Y146), H151 (= H147), G152 (= G148), E213 (= E206), D247 (= D240), I249 (≠ V242), K276 (= K269)
5kgsA Crystal structure of 7,8-diaminopelargonic acid synthase (bioa) from mycobacterium tuberculosis, complexed with an inhibitor optimized from hts lead: 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2, 3-dihydroinden-1-one (see paper)
48% identity, 95% coverage: 13:416/424 of query aligns to 13:422/429 of 5kgsA
- active site: Y18 (= Y18), Y150 (= Y146), E213 (= E206), D247 (= D240), A250 (≠ F243), K276 (= K269), Y400 (= Y394)
- binding 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one: P17 (= P17), Y18 (= Y18), W57 (= W53), M84 (= M80), G86 (= G82), Y150 (= Y146), D162 (= D158), G165 (≠ E161), G166 (= G162), P310 (= P304), T311 (= T305), F395 (= F389)
- binding pyridoxal-5'-phosphate: G117 (= G113), S118 (= S114), Y150 (= Y146), H151 (= H147), G152 (= G148), E213 (= E206), D247 (= D240), I249 (≠ V242), K276 (= K269)
4xjpA Crystal structure of 7,8-diaminopelargonic acid synthase (bioa) from mycobacterium tuberculosis, complexed with an inhibitor optimized from hts lead (see paper)
48% identity, 95% coverage: 13:416/424 of query aligns to 13:422/429 of 4xjpA
- active site: Y18 (= Y18), Y150 (= Y146), E213 (= E206), D247 (= D240), A250 (≠ F243), K276 (= K269), Y400 (= Y394)
- binding 1-{4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl}ethanone: P17 (= P17), Y18 (= Y18), W57 (= W53), M84 (= M80), G86 (= G82), Y150 (= Y146), G165 (≠ E161), G166 (= G162), A219 (= A212), G220 (= G213), G309 (= G303), F395 (= F389)
- binding pyridoxal-5'-phosphate: G117 (= G113), S118 (= S114), Y150 (= Y146), H151 (= H147), G152 (= G148), E213 (= E206), D247 (= D240), I249 (≠ V242), K276 (= K269), P310 (= P304), T311 (= T305)
Query Sequence
>WP_012591140.1 NCBI__GCF_000021745.1:WP_012591140.1
MSAADWLEQGLPHIWLPYTQMQTTPPPLPVASTKGSRITLADGRELIDGIASWWTACHGY
NHPHIAQAVRGQLDKMPHVMFGGLAHEPALTLARRLAALLPDPLERVFFCDSGSVAVEVA
MKMSVQFWLNQGFTGRTKFLSFRGGYHGDTFACMSVCDPEEGMHSLFAGALAKQIIADLP
VDEASEAAFDRLLAAHAEELAAIVVEPLAQGAGGMIFHGAEVLQKLRRAADRHGILLIFD
EVFTGFGRTGTMFACESAGVVPDIVALSKALTGGTMGLAATIASRKIFEGFLSDDPLHAL
MHGPTFMANPLACAAANASLDLFEQEPRLAQAAAISEALKLGLAPCRDFPRVKDVRVLGA
IGVVELDRIDDMNGLKRRFVEAGVWVRPFRNIVYLTPALTIGEGELKCLTDAVVAVVGER
ARGS
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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