Structure of PDB 4xiw Chain A Binding Site BS02

Receptor Information
>4xiw Chain A (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 IDAZM
InChIInChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
InChIKeyBZKPWHYZMXOIDC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)Nc1nnc(s1)S(=O)(=O)N
CACTVS 3.341CC(=O)Nc1sc(nn1)[S](N)(=O)=O
ACDLabs 10.04O=S(=O)(c1nnc(s1)NC(=O)C)N
FormulaC4 H6 N4 O3 S2
Name5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE
ChEMBLCHEMBL20
DrugBankDB00819
ZINCZINC000003813042
PDB chain4xiw Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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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 L253 T254 T255
Binding residue
(residue number reindexed from 1)		H87 H89 H106 L180 T181 T182
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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