Structure of PDB 3mcx Chain A Binding Site BS01

Receptor Information
>3mcx Chain A (length=459) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VTLDDAQIALNGIYRLASGHSYYGDNYWYYGDCRAADVQARITKGDGKRV
SPYYEYNVLASDNLNIVLPWNTVYKVIRQTNNLIQKIESGSIQSSDTKEL
NRIKSEALVMRGLSLFNLTRLFGMPYTNDKGASLGVPIETSPSDPTHKPS
RSTVAQCYEQVVSDMSNALSGLRQETSNGYINYWAAQALLSRVYLNMGEY
QKAYDAATDVIKNNGGRYQLYSYEEYPNVWGQDFQSESLFELYITLSEPS
GGTGGEGAPMVYANEATVDWNNLILSEDFLNLLNEDPKDVRHCLTKESVI
ENNTGLPAAAMHEKVYLAKFPGKTGDDPKTNNICIIRLSEVYLNAAEAGL
KKGTDIEEAQGYLNDIISRRTTDTSQQVSTETFTLDRILKERRKELVGEG
EVFYDYLRNGLAIERKGSWHLETLKASNAQKIEATDLRIALPIPQSEIDA
NPNIQQNPR
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3mcx Chain A Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3mcx Crystal structure of SusD superfamily protein (BT_2365) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.49 A resolution
Resolution1.49 Å
Binding residue
(original residue number in PDB)		E335 E339 H350
Binding residue
(residue number reindexed from 1)		E297 E301 H312
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:3mcx, PDBe:3mcx, PDBj:3mcx
PDBsum3mcx
PubMed
UniProtQ8A577

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