Structure of PDB 4dve Chain A Binding Site BS01

Receptor Information
>4dve Chain A (length=189) Species: 416870 (Lactococcus cremoris subsp. cremoris MG1363) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMTNNQKVKTLTYSAFMTAFIIILGFLPGIPIGFIPVPIILQNMGIMMAG
GLLGPKYGTISVGAFLALALIGLPVLTGGNGGAASFLGPSGGYRIAWLFT
PFLIGFFLKKLKITTSQNWFGELIIVLLFGVIFVDFVGAIWLSFQSNIPL
LTSLISNLVFIPGDCIKAILTVVIVRRLRKQGGFELYFR
Ligand information
Ligand IDBTN
InChIInChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
InChIKeyYBJHBAHKTGYVGT-ZKWXMUAHSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12
CACTVS 3.385OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
ACDLabs 12.01O=C1NC2C(SCC2N1)CCCCC(=O)O
OpenEye OEToolkits 1.7.6C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2
OpenEye OEToolkits 1.7.6C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2
FormulaC10 H16 N2 O3 S
NameBIOTIN
ChEMBLCHEMBL857
DrugBankDB00121
ZINCZINC000035024346
PDB chain4dve Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4dve Structural divergence of paralogous S components from ECF-type ABC transporters.
Resolution2.09 Å
Binding residue
(original residue number in PDB)		P37 I38 I39 N42 S89 Y92 R93 F159 D163 K166
Binding residue
(residue number reindexed from 1)		P38 I39 I40 N43 S90 Y93 R94 F160 D164 K167
Annotation score5
Binding affinityMOAD: Kd=0.3nM
PDBbind-CN: -logKd/Ki=9.52,Kd=0.3nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015225 biotin transmembrane transporter activity
Biological Process
GO:0015878 biotin transport
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:4dve, PDBe:4dve, PDBj:4dve
PDBsum4dve
PubMed22891302
UniProtA2RMJ9|BIOY_LACLM Biotin transporter BioY (Gene Name=bioY)

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