Structure of PDB 1ekj Chain B Binding Site BS01

Receptor Information
>1ekj Chain B (length=213) Species: 3888 (Pisum sativum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKSEASERIKTGFLHFKKEKYDKNPALYGELAKGQSPPFMVFACSDSRVC
PSHVLDFQPGEAFVVRNVANLVPPYDQAKYAGTGAAIEYAVLHLKVSNIV
VIGHSACGGIKGLLSFPFDGTYSTDFIEEWVKIGLPAKAKVKAQHGDAPF
AELCTHCEKEAVNASLGNLLTYPFVREGLVNKTLALKGGYYDFVKGSFEL
WGLEFGLSSTFSV
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1ekj Chain B Residue 4002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ekj The active site architecture of Pisum sativum beta-carbonic anhydrase is a mirror image of that of alpha-carbonic anhydrases.
Resolution1.93 Å
Binding residue
(original residue number in PDB)		C160 H220 C223
Binding residue
(residue number reindexed from 1)		C44 H104 C107
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C160 D162 R164 H220 C223
Catalytic site (residue number reindexed from 1) C44 D46 R48 H104 C107
Enzyme Commision number 4.2.1.1: carbonic anhydrase.
Gene Ontology
Molecular Function
GO:0004089 carbonate dehydratase activity
GO:0008270 zinc ion binding
Biological Process
GO:0015976 carbon utilization

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Molecular Function
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Biological Process
External links
PDB RCSB:1ekj, PDBe:1ekj, PDBj:1ekj
PDBsum1ekj
PubMed10747009
UniProtP17067|CAHC_PEA Carbonic anhydrase, chloroplastic

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