Structure of PDB 4xiw Chain B Binding Site BS01

Receptor Information
>4xiw Chain B (length=237) Species: 3055 (Chlamydomonas reinhardtii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AWNYGEVAGPPTWKGVCATGKRQSPINIPLNTSAPKVDAEMGEFDFAYGS
FEKCDVLNTGHGTMQVNFPAGNLAFIGNMELELLQFHFHAPSEHAMDGRR
YAMEAHLVHKNKSTGNLAVLGIMLEPGGLIKNPALSTALEVAPEVPLAKK
PSPKGINPVMLLPKKSKAGTRPFVHYPGSLTTPPCSEGVDWFVFMQPIKV
PDSQILDFMRFVGDNKTYATNTRPLQLLNSRLVEYEL
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 chain4xiw Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4xiw Crystal Structure and Functional Characterization of Photosystem II-Associated Carbonic Anhydrase CAH3 in Chlamydomonas reinhardtii.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		H160 H162 H179
Binding residue
(residue number reindexed from 1)		H87 H89 H106
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H134 H160 H162 E166 H179 T254
Catalytic site (residue number reindexed from 1) H61 H87 H89 E93 H106 T181
Enzyme Commision number 4.2.1.1: carbonic anhydrase.
Gene Ontology
Molecular Function
GO:0004089 carbonate dehydratase activity
GO:0008270 zinc ion binding

View graph for
Molecular Function
External links
PDB RCSB:4xiw, PDBe:4xiw, PDBj:4xiw
PDBsum4xiw
PubMed25617045
UniProtQ39588

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