Structure of PDB 3qx7 Chain A Binding Site BS03

Receptor Information
>3qx7 Chain A (length=224) Species: 818 (Bacteroides thetaiotaomicron) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMRKKLKAVLFDMDGVLFNSMPYHSEAWHQVMKTHGLDLSREEAYMHEGR
TGASTINIVFQRELGKEATQEEIESIYHEKSILFNSYPEAERMPGAWELL
QKVKSEGLTPMVVTGSGQLSLLERLEHNFPGMFHKELMVTAFDVKYGKPN
PEPYLMALKKGGLKADEAVVIENAPLGVEAGHKAGIFTIAVNTGPLDGQV
LLDAGADLLFPSMQTLCDSWDTIM
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 chain3qx7 Chain A Residue 227 [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]
PDB3qx7 Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D11 D13 E47 N172
Binding residue
(residue number reindexed from 1)		D12 D14 E48 N173
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D11 D13 S19 E47 V112 T113 K147 E171 N172
Catalytic site (residue number reindexed from 1) D12 D14 S20 E48 V113 T114 K148 E172 N173
Enzyme Commision number 3.6.1.1: inorganic diphosphatase.
Gene Ontology
Molecular Function
GO:0008801 beta-phosphoglucomutase activity
GO:0046872 metal ion binding
GO:0050308 sugar-phosphatase activity

View graph for
Molecular Function
External links
PDB RCSB:3qx7, PDBe:3qx7, PDBj:3qx7
PDBsum3qx7
PubMed21894910
UniProtQ8A5V9

[Back to BioLiP]