Structure of PDB 5swc Chain E Binding Site BS01

Receptor Information
>5swc Chain E (length=223) Species: 1111708 (Synechocystis sp. PCC 6803 substr. Kazusa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMQRLIEGLQKFREGYFSSHRDLFEQLSHGQHPRILFICCSDSRVDPN
LITQSEVGDLFVIRNAGNIIPPYGAANGGEGAAMEYALVALEINQIIVCG
HSHCGAMKGLLKLNSLQEKLPLVYDWLKHTEATRRLVLDNYSHLEGEDLI
EVAVAENILTQLKNLQTYPAIHSRLHRGDLSLHGWIYRIEEGEVLAYDGV
LHDFVAPQSRINALEPEDEYALH
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 chain5swc Chain E Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5swc The structure, kinetics and interactions of the beta-carboxysomal beta-carbonic anhydrase, CcaA.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		C39 H98 C101
Binding residue
(residue number reindexed from 1)		C42 H101 C104
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C39 D41 R43 H98 C101
Catalytic site (residue number reindexed from 1) C42 D44 R46 H101 C104
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:5swc, PDBe:5swc, PDBj:5swc
PDBsum5swc
PubMed27729545
UniProtQ54735|CYNT_SYNY3 Carbonic anhydrase (Gene Name=ccaA)

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