Structure of PDB 1j0e Chain A Binding Site BS02

Receptor Information
>1j0e Chain A (length=341) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGVAKFAKYPLTFGPSPISNLNRLSQHLGSKVNVYAKREDCNSGLAFGGN
KLRKLEYIVPDIVEGDYTHLVSIGGRQSNQTRMVAALAAKLGKKCVLIQE
DWVPIPEAEKDVYNRVGNIELSRIMGADVRVIEDGFDIGMRKSFANALQE
LEDAGHKPYPIPAGCSEHKYGGLGFVGFADEVINQEVELGIKFDKIVVCC
VTGSTTAGILAGMAQYGRQDDVIAIDASFTSEKTKEQTLRIANNTAKLIG
VEHEFKDFTLDTRFAYPCYGVPNEGTIEAIRTCAEQEGVLTDPVFEGKSM
QGLIALIKEDYFKPGANVLYVHLGGAPALSAYSSFFPTKTA
Ligand information
Ligand ID1AC
InChIInChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)
InChIKeyPAJPWUMXBYXFCZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1(CC1)C(O)=O
OpenEye OEToolkits 1.5.0C1CC1(C(=O)O)N
ACDLabs 10.04O=C(O)C1(N)CC1
FormulaC4 H7 N O2
Name1-AMINOCYCLOPROPANECARBOXYLIC ACID
ChEMBLCHEMBL265325
DrugBankDB02085
ZINCZINC000000895536
PDB chain1j0e Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1j0e Reaction intermediate structures of 1-aminocyclopropane-1-carboxylate deaminase: insight into PLP-dependent cyclopropane ring-opening reaction
Resolution2.45 Å
Binding residue
(original residue number in PDB)		S78 N79 Q80 F295
Binding residue
(residue number reindexed from 1)		S78 N79 Q80 F295
Annotation score5
Enzymatic activity
Enzyme Commision number 3.5.99.7: 1-aminocyclopropane-1-carboxylate deaminase.
Gene Ontology
Molecular Function
GO:0008660 1-aminocyclopropane-1-carboxylate deaminase activity
GO:0016787 hydrolase activity
GO:0019148 D-cysteine desulfhydrase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0009310 amine catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1j0e, PDBe:1j0e, PDBj:1j0e
PDBsum1j0e
PubMed12882962
UniProtQ7M523|1A1D_CYBSA 1-aminocyclopropane-1-carboxylate deaminase

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