Structure of PDB 4cnr Chain B Binding Site BS01

Receptor Information
>4cnr Chain B (length=258) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHWGYDKHNGPEHWHKDFPIANGERQSPVDIDTDAVVQDPALKPLALDYG
EATSRRMVNDGHSFNVEYDDSQDKAVLKDGPLTGTYRLVQFHFHWGSSDD
QGSEHTVDRKKYAAELHLVHWNTKYGDFGTAAQEPDGLAVVGVFLKVGDA
NPALQKVLDALDSIKTKGKSTDFPNFDPGSLLPNVLDYWTYPGSLTTPPL
LESVTWIVLKEPISVSSQQMLKFRTLNFNAEGEPEELMLANWRPAQPLKN
RQVRGFPK
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 chain4cnr Chain B Residue 268 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4cnr Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst.
Resolution2.29 Å
Binding residue
(original residue number in PDB)		H94 H96 H119
Binding residue
(residue number reindexed from 1)		H92 H94 H117
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H64 H94 H96 E106 H119 T198
Catalytic site (residue number reindexed from 1) H62 H92 H94 E104 H117 T196
Enzyme Commision number 4.2.1.1: carbonic anhydrase.
4.2.1.69: cyanamide hydratase.
Gene Ontology
Molecular Function
GO:0004089 carbonate dehydratase activity
GO:0008270 zinc ion binding
GO:0016829 lyase activity
GO:0018820 cyanamide hydratase activity
GO:0046872 metal ion binding
Biological Process
GO:0006730 one-carbon metabolic process
GO:0015670 carbon dioxide transport
GO:0038166 angiotensin-activated signaling pathway
GO:0044070 regulation of monoatomic anion transport
GO:0051453 regulation of intracellular pH
GO:2001150 positive regulation of dipeptide transmembrane transport
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane
GO:0045177 apical part of cell

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4cnr, PDBe:4cnr, PDBj:4cnr
PDBsum4cnr
PubMed26687908
UniProtP00921|CAH2_BOVIN Carbonic anhydrase 2 (Gene Name=CA2)

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