Structure of PDB 6ed7 Chain C Binding Site BS02

Receptor Information
>6ed7 Chain C (length=429) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATTDDLAFDQRHIWHPYTSMTSPLPVYPVVSAEGCELILSDGRRLVDGMS
SWWAAIHGYNHPQLNAAMKSQIDAMSHVMFGGITHAPAIELCRKLVAMTP
QPLECVFLADSGSVAVEVAMKMALQYWQAKGEARQRFLTFRNGYHGDTFG
AMSVCDPDNSMHSLWKGYLPENLFAPAPQSRMDGEWDERDMVGFARLMAA
HRHEIAAVIIEPIVQGAGGMRMYHPEWLKRIRKICDREGILLIADEIATG
FGRTGKLFACEHAEIAPDILCLGKALTGGTMTLSATLTTREVAETISNGE
AGCFMHGPTFMGNPLACAAANASLAILESGDWQQQVADIEVQLREQLAPA
RDAEMVADVRVLGAIGVVETTHPVNMAALQKFFVEQGVWIRPFGKLIYLM
PPYIILPQQLQRLTAAVNRAVQDETFFCQ
Ligand information
Ligand IDJ4J
InChIInChI=1S/C8H9N3O3S/c9-10-8(12)5-15-7-4-2-1-3-6(7)11(13)14/h1-4H,5,9H2,(H,10,12)
InChIKeyCZXFCCXLFQCYBK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=[N+](c1ccccc1SCC(NN)=O)[O-]
CACTVS 3.385NNC(=O)CSc1ccccc1[N+]([O-])=O
OpenEye OEToolkits 2.0.6c1ccc(c(c1)[N+](=O)[O-])SCC(=O)NN
FormulaC8 H9 N3 O3 S
Name2-[(2-nitrophenyl)sulfanyl]acetohydrazide
ChEMBLCHEMBL3727969
DrugBank
ZINCZINC000000079219
PDB chain6ed7 Chain C Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ed7 Crystal structure of 7,8-diaminopelargonic acid synthase bound to inhibitor MAC13772
Resolution2.43 Å
Binding residue
(original residue number in PDB)		W52 Y144 A217 K274 F393
Binding residue
(residue number reindexed from 1)		W52 Y144 A217 K274 F393
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y17 Y144 D245 K274
Catalytic site (residue number reindexed from 1) Y17 Y144 D245 K274
Enzyme Commision number 2.6.1.62: adenosylmethionine--8-amino-7-oxononanoate transaminase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004015 adenosylmethionine-8-amino-7-oxononanoate transaminase activity
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
GO:0042803 protein homodimerization activity
Biological Process
GO:0009102 biotin biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6ed7, PDBe:6ed7, PDBj:6ed7
PDBsum6ed7
PubMed
UniProtP12995|BIOA_ECOLI Adenosylmethionine-8-amino-7-oxononanoate aminotransferase (Gene Name=bioA)

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