Structure of PDB 3vnp Chain B Binding Site BS01

Receptor Information
>3vnp Chain B (length=171) Species: 235909 (Geobacillus kaustophilus HTA426) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMIYPYKGKTPQIAASAFIADYVTITGDVVIGEETSIWFNTVIRGDVAPT
VIGNRVNIQDNSILHQSPNNPLIIEDGVTVGHQVILHSAIVRKNALIGMG
SIILDRAEIGEGAFIGAGSLVPPGKKIPPNTLALGRPAKVVRELTEDDIR
EMERIRREYVEKGQYYKALQQ
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3vnp Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3vnp Crystal structure of hypothetical protein (GK2848) from Geobacillus Kaustophilus
Resolution2.4 Å
Binding residue
(original residue number in PDB)		H64 H86
Binding residue
(residue number reindexed from 1)		H65 H87
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.1: carbonic anhydrase.
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3vnp, PDBe:3vnp, PDBj:3vnp
PDBsum3vnp
PubMed
UniProtQ5KW03|CAG_GEOKA Carbonic anhydrase (Gene Name=GK2848)

[Back to BioLiP]