Structure of PDB 1mly Chain A Binding Site BS01

Receptor Information
>1mly Chain A (length=427) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTTDDLAFDQRHILHPYTSMTSPLPVYPVVSAEGCELILSDGRRLVDGMS
SWWAAIHGYNHPQLNAAMKSQIDAMSHVMFGGITHAPAIELCRKLVAMTP
QPLECVFLADSGSVAVEVAMKMALQYWQAKGEARQRFLTFRNGYHGDTFG
AMSVCDPDNSMHSLWKGYLPENLFAPAPQSRMGEWDERDMVGFARLMAAH
RHEIAAVIIEPIVQGAGGMRMYHPEWLKRIRKICDREGILLIADEIATGF
GRTGKLFACEHAEIAPDILCLGKALTGGTMTLSATLTTREVAETISNGEA
GCFMHGPTFMGNPLACAAANASLAILESGDWQQQVADIEVQLREQLAPAR
DAEMVADVRVLGAIGVVETTHPVNMAALQKFFVEQGVWIRPFGKLIYLMP
PYIILPQQLQRLTAAVNRAVQDETFFC
Ligand information
Ligand IDACZ
InChIInChI=1S/C10H16N2O2/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-2,4-5,7-9H,3,6,11-12H2,(H,13,14)/t7-,8?,9-/m0/s1
InChIKeyLAJWZJCOWPUSOA-SMOXQLQSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CC(C=CC1CCC(C(=O)O)N)N
CACTVS 3.341N[C@@H](CC[C@@H]1C=C[C@@H](N)C=C1)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCC1C=CC(N)C=C1
OpenEye OEToolkits 1.5.0C1=CC(C=CC1CC[C@@H](C(=O)O)N)N
CACTVS 3.341N[CH](CC[CH]1C=C[CH](N)C=C1)C(O)=O
FormulaC10 H16 N2 O2
NameCIS-AMICLENOMYCIN;
2-AMINO-4-(4-AMINO-CYCLOHEXA-2,5-DIENYL)-BUTYRIC ACID
ChEMBL
DrugBankDB02725
ZINC
PDB chain1mly Chain A Residue 731 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1mly Structural basis for the inhibition of the biosynthesis of biotin by the antibiotic amiclenomycin
Resolution1.81 Å
Binding residue
(original residue number in PDB)		W52 W53 K274 R391 F393
Binding residue
(residue number reindexed from 1)		W52 W53 K273 R390 F392
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y17 Y144 E211 D245 A248 K274 Y398
Catalytic site (residue number reindexed from 1) Y17 Y144 E210 D244 A247 K273 Y397
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:1mly, PDBe:1mly, PDBj:1mly
PDBsum1mly
PubMed12218056
UniProtP12995|BIOA_ECOLI Adenosylmethionine-8-amino-7-oxononanoate aminotransferase (Gene Name=bioA)

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