Structure of PDB 1qj3 Chain B Binding Site BS02

Receptor Information
>1qj3 Chain B (length=415) Species: 469008 (Escherichia coli BL21(DE3)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTTDDLAFDQRHILHPYTSMTSPLPVYPVVSAEGCELILSDGRRLVDGMS
SWWAAIHGYNHPQLNAAMKSQIDAMSHVMFGGITHAPAIELCRKLVAMTP
QPLECVFLADSGSVAVEVAMKMALQYWQAKGEARQRFLTFRNGYHGDTFG
AMSVCDPDNLPENLFAPAPQSRMEWDERDMVGFARLMAAHRHEIAAVIIE
PIVQGAGGMRMYHPEWLKRIRKICDREGILLIADEIATGFGRTGKLFACE
HAEIAPDILCLGKALTGGTMTLSATLTTREVAETISNGGCFMHGPTFMGN
PLACAAANASLAILESGDWQQQVADIEVQLREQLAPARDAEMVADVRVLG
AIGVVETTHPVNMAALQKFFVEQGVWIRPFGKLIYLMPPYIILPQQLQRL
TAAVNRAVQDETFFC
Ligand information
Ligand IDKAP
InChIInChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)/t7-/m0/s1
InChIKeyGUAHPAJOXVYFON-ZETCQYMHSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(CCCCCC(=O)O)C(N)C
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)CCCCCC(=O)O)N
OpenEye OEToolkits 1.5.0CC(C(=O)CCCCCC(=O)O)N
CACTVS 3.341C[CH](N)C(=O)CCCCCC(O)=O
CACTVS 3.341C[C@H](N)C(=O)CCCCCC(O)=O
FormulaC9 H17 N O3
Name7-KETO-8-AMINOPELARGONIC ACID
ChEMBL
DrugBankDB02274
ZINCZINC000001532843
PDB chain1qj3 Chain B Residue 1430 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1qj3 Crystal Structure of Diaminopelargonic Acid Synthase; Evolutionary Relationships between Pyridoxal-5'-Phosphate Dependent Enzymes
Resolution2.7 Å
Binding residue
(original residue number in PDB)		Y17 W52 Y144 K274 R391 F393
Binding residue
(residue number reindexed from 1)		Y17 W52 Y144 K263 R378 F380
Annotation score5
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 E200 D234 A237 K263 Y385
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:1qj3, PDBe:1qj3, PDBj:1qj3
PDBsum1qj3
PubMed10452893
UniProtP12995|BIOA_ECOLI Adenosylmethionine-8-amino-7-oxononanoate aminotransferase (Gene Name=bioA)

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