Structure of PDB 3chg Chain B Binding Site BS01

Receptor Information
>3chg Chain B (length=258) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKTIIGIDPGSGIMSLTDKAMKDYDLNDWTLISASSAAMTATLKKSYDRK
KPIIITGWTPHWMFSRYKLKYLDDPKQSYGSAEEIHTITRKGFSKEQPNA
AKLLSQFKWTQDEMGEIMIKVEEGEKPAKVAAEYVNKHKDQIAEWTKGVQ
KVKGDKINLAYVAWDSEIASTNVIGKVLEDLGYEVTLTQVEAGPMWTAIA
TGSADASLSAWLPNTHKAYAAKYKGKYDDIGTSMTGVKMGLVVPQYMKNV
NSIEDLKK
Ligand information
Ligand ID313
InChIInChI=1S/C4H10O2S/c1-7(2)3-4(5)6/h7H,3H2,1-2H3,(H,5,6)
InChIKeyGBHLSDCOGOHDJL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CS(C)C
CACTVS 3.341C[SH](C)CC(O)=O
OpenEye OEToolkits 1.5.0CS(C)CC(=O)O
FormulaC4 H10 O2 S
Name(dimethyl-lambda~4~-sulfanyl)acetic acid
ChEMBL
DrugBank
ZINC
PDB chain3chg Chain B Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3chg The Compatible-Solute-Binding Protein OpuAC from Bacillus subtilis: Ligand Binding, Site-Directed Mutagenesis, and Crystallographic Studies
Resolution2.8 Å
Binding residue
(original residue number in PDB)		S25 G26 I27 W72 W178 W225
Binding residue
(residue number reindexed from 1)		S11 G12 I13 W58 W164 W211
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0022857 transmembrane transporter activity
Biological Process
GO:0006865 amino acid transport
GO:0055085 transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0043190 ATP-binding cassette (ABC) transporter complex
GO:0045121 membrane raft

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3chg, PDBe:3chg, PDBj:3chg
PDBsum3chg
PubMed18567662
UniProtP46922|OPUAC_BACSU Glycine betaine-binding protein OpuAC (Gene Name=opuAC)

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