Structure of PDB 1flj Chain A Binding Site BS01

Receptor Information
>1flj Chain A (length=259) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKEWGYASHNGPEHWHELYPIAKGDNQSPIELHTKDIRHDPSLQPWSVSY
DPGSAKTILNNGKTCRVVFDDTFDRSMLRGGPLSGPYRLRQFHLHWGSSD
DHGSEHTVDGVKYAAELHLVHWNPKYNTFGEALKQPDGIAVVGIFLKIGR
EKGEFQILLDALDKIKTKGKEAPFNHFDPSCLFPACRDYWTYHGSFTTPP
CEECIVWLLLKEPMTVSSDQMAKLRSLFASAENEPPVPLVGNWRPPQPIK
GRVVRASFK
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 chain1flj Chain A Residue 262 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1flj Crystal structure of S-glutathiolated carbonic anhydrase III.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H94 H96 H119
Binding residue
(residue number reindexed from 1)		H93 H95 H118
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K64 H94 H96 E106 H119 T199
Catalytic site (residue number reindexed from 1) K63 H93 H95 E105 H118 T197
Enzyme Commision number 4.2.1.1: carbonic anhydrase.
Gene Ontology
Molecular Function
GO:0004089 carbonate dehydratase activity
GO:0008270 zinc ion binding
GO:0016151 nickel cation binding
GO:0016791 phosphatase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0006730 one-carbon metabolic process
GO:0006979 response to oxidative stress
GO:0009617 response to bacterium
GO:0045471 response to ethanol
Cellular Component
GO:0005737 cytoplasm
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:1flj, PDBe:1flj, PDBj:1flj
PDBsum1flj
PubMed11024467
UniProtP14141|CAH3_RAT Carbonic anhydrase 3 (Gene Name=Ca3)

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