Structure of PDB 8gpp Chain C Binding Site BS01

Receptor Information
>8gpp Chain C (length=191) Species: 470 (Acinetobacter baumannii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HPCYSIDGVIPVVSPDAFVHPTAVLIGDVIIEAGVYVGPFASLRADFGRI
HINQNANIQDSCTVHGFPQSVTLVEEMGHIGHGAILHGCRIGKNVLVGMN
SVILDYAEIGENTIIGANSLVKTKDIIPANVLAMGSPAKVARDLSEQEKK
WKTRGTQEYMELAQRCLNSMQEVQPLSSESDDRLTYKDFSS
Ligand information
Ligand IDBCT
InChIInChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
InChIKeyBVKZGUZCCUSVTD-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)(O)[O-]
CACTVS 3.341OC([O-])=O
ACDLabs 10.04[O-]C(=O)O
FormulaC H O3
NameBICARBONATE ION
ChEMBL
DrugBank
ZINC
PDB chain8gpp Chain C Residue 301 [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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PDB8gpp Acinetobacter baumannii carbonic anhydrase
Resolution2.09 Å
Binding residue
(original residue number in PDB)		Q59 H79
Binding residue
(residue number reindexed from 1)		Q59 H79
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:8gpp, PDBe:8gpp, PDBj:8gpp
PDBsum8gpp
PubMed
UniProtA0A6F8THQ5

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