Structure of PDB 3db7 Chain A Binding Site BS02

Receptor Information
>3db7 Chain A (length=127) Species: 818 (Bacteroides thetaiotaomicron) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GADDDKPIQVTQMPQLAQQFIKQHFSDSKVALAKMESDFLYKSYEVIFTN
GNKVEFDKKGNWEEVDCKHTSVPVAIIPAAIQKYVTTNYPDAKVLKIERD
KKDYEVKLSNRTELKFDLKFNLIDIDN
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3db7 Chain A Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3db7 Crystal structure of putative calcium-regulated periplasmic protein of unknown function (NP_809836.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.40 A resolution
Resolution1.4 Å
Binding residue
(original residue number in PDB)
E73 E82
Binding residue
(residue number reindexed from 1)
E55 E64
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links