Structure of PDB 3kez Chain B Binding Site BS01

Receptor Information
>3kez Chain B (length=448) Species: 435590 (Phocaeicola vulgatus ATCC 8482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETSINVLSDIEFTLNGIYSTMQSSDAYSGRLVYYGDVTGDDMQAVSSTKR
TGNYYRFNFTKDNGPSSHWSYLYSIIQNCNLILMNVDKLSIDEDETEYKN
DLKGQALAIRGMALFDLTRIFGYPYLKDNGASLGVPIVKELSTIDSKPAR
NTVAECYTEIISDLKNSTELLSGDFNKGKVNRWAAMTLLSRVYLYKGEYN
EALTMAENAIKGAEKEGYALWTNEEYPTAWGNDASASNPGEILFEIVNLT
TDSPGKESMGYLNSYNGYDDMCITCSFYQLLKKDPKDVRLKILSFDKKYY
AYVNKYQPQQGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNS
IVQRANPENSVEGKTLTLENVLDERRKELVAEGHRMYDVIRNGMTVKRID
VKDSDINKTKHNTAYMEYDWNFHKILLPIPKKEMDANPNMKQNPGYVD
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 chain3kez Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3kez Crystal structure of Putative sugar binding protein (YP_001299726.1) from Bacteroides vulgatus ATCC 8482 at 1.90 A resolution
Resolution1.9 Å
Binding residue
(original residue number in PDB)		N282 Q343 E346 D350 A351 N352
Binding residue
(residue number reindexed from 1)		N248 Q309 E312 D316 A317 N318
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:3kez, PDBe:3kez, PDBj:3kez
PDBsum3kez
PubMed
UniProtA6L340

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