Structure of PDB 7biz Chain A Binding Site BS02

Receptor Information
>7biz Chain A (length=478) Species: 818 (Bacteroides thetaiotaomicron) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPPVISLALPSQGLKVVRNTDYTFTPDIQHSDVEGFKIEWVREGKIVSTE
NTYTFNEKELGVYTVTINASNIDGTTTKDVSVEVVETMPYVVKFPTPSYL
QTSTDRYTFADRPVFLRPLLEYFDNPRFEWSVDGQVMEGEVERMFKFTPS
APGEYTVSCTVSEDTPTEKISRNIDKGKTAVTATVKVVCVDKKEQDGFRA
SGSSKLWNKVYEYTPAPGQFINETSTIGGMTGNETSPEAAVAWATQRLKD
KLHVSLGSFGGYIIVGFDHSIPNSGNQYDFCVQGNAFDGSSEPGIVWVMQ
DINGNGLPDDEWYELKGSEAGKEETIQNFEVTYYRPEGKKMDVQWISSDG
RNGWVDYLSAYHTQDYYYPAWISENSYTLTGTCLAARNTQDSQTGYWDNQ
SYDWGYVDNFGNDQIEGGSTVDGSGQRNGFKISNAIHADGTEANLQYIDF
IKIQCGVLAKSGWLGEVSTEVFSFEDLT
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 chain7biz Chain A Residue 702 [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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PDB7biz Gut Commensal Bacteroidetes Encode a Novel Class of Vitamin B 12 -Binding Proteins.
Resolution1.53 Å
Binding residue
(original residue number in PDB)
E406 S582 E584
Binding residue
(residue number reindexed from 1)
E292 S468 E470
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links