Structure of PDB 6n93 Chain F Binding Site BS03

Receptor Information
>6n93 Chain F (length=260) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AYQYVNVVTINKVAVIEFNYGRKLNALSKVFIDDLMQALSDLNRPEIRCI
ILRAPSGSKVFSAGHDIHELPSGGRDPLSYDDPLRQITRMIQKFPKPIIS
MVEGSVWGGAFEMIMSSDLIIAASTSTFSMTPVNLGVPYNLVGIHNLTRD
AGFHIVKELIFTASPITAQRALAVGILNHVVEVEELEDFTLQMAHHISEK
APLAIAVIKEELRVLGEAHTMNSDEFERIQGMRRAVYDSEDYQEGMNAFL
EKRKPNFVGH
Ligand information
Ligand IDKG7
InChIInChI=1S/C3H5NO3/c1-2(4-7)3(5)6/h7H,1H3,(H,5,6)/b4-2+
InChIKeyMVGBKLTYYAYYGY-DUXPYHPUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=NO)C(=O)O
OpenEye OEToolkits 2.0.6C/C(=N\O)/C(=O)O
CACTVS 3.385CC(=N\O)/C(O)=O
ACDLabs 12.01O=C(O)\C(=N\O)C
CACTVS 3.385CC(=NO)C(O)=O
FormulaC3 H5 N O3
Name(2E)-2-(hydroxyimino)propanoic acid
ChEMBLCHEMBL4091867
DrugBank
ZINCZINC000012495959
PDB chain6n93 Chain F Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6n93 Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		E241 H261
Binding residue
(residue number reindexed from 1)		E240 H260
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H66 L71 G110 E113 P133 V138 Y140 E228 Y238
Catalytic site (residue number reindexed from 1) H65 L70 G109 E112 P132 V137 Y139 E227 Y237
Enzyme Commision number 4.1.1.-
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004492 methyl/ethyl malonyl-CoA decarboxylase activity
GO:0016829 lyase activity
GO:0016831 carboxy-lyase activity
Biological Process
GO:0006635 fatty acid beta-oxidation
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6n93, PDBe:6n93, PDBj:6n93
PDBsum6n93
PubMed30869886
UniProtP52045|SCPB_ECOLI Methylmalonyl-CoA decarboxylase (Gene Name=scpB)

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