Structure of PDB 3jq1 Chain B Binding Site BS01

Receptor Information
>3jq1 Chain B (length=464) Species: 435590 (Phocaeicola vulgatus ATCC 8482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TFWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIARADEVDFRNDI
SDVYTVNRFTNSNTNSLTQGMFYQFYNALYRTNSIMQKLEEKKEQFSTDF
QNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIW
AQAKEDLKTAASLLPITNKIGKPTQGAAYAALGKIYVYEENWQEAINVLE
PLTQNPYTYKLVEDFNWNFDDTHENNAESIFELLIEDVWTQSNTRPKEYA
AAEVGGWYEANPTQQIMDIFWKEKDKDGNFDYRARCSVAWDYEGCTYYQR
PFREVFAQDKWKTYWILKYQNWKTQKDEPAPPKSFINERAIRYADVLLML
AEAYMNKGALDTSIGYINQIRRRANLNDYSGPITKEGVFEDLVHQRAIEF
FVEGERFYDLRRWGLLEQTLKTCDDTRYKNYQTGKSDNINKFNYFPIPAK
ELDTNPLCTPSEGW
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 chain3jq1 Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3jq1 Crystal structure of SusD superfamily protein (YP_001297730.1) from Bacteroides vulgatus ATCC 8482 at 1.55 A resolution
Resolution1.55 Å
Binding residue
(original residue number in PDB)		D257 E260 F384
Binding residue
(residue number reindexed from 1)		D221 E224 F335
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Cellular Component
GO:0016020 membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:3jq1, PDBe:3jq1, PDBj:3jq1
PDBsum3jq1
PubMed
UniProtA6KXE4

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