Structure of PDB 5nxx Chain D Binding Site BS01

Receptor Information
>5nxx Chain D (length=265) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASAAEQVNKTIIGIDPGSGIMSLTDKAMKDYDLNDWTLISASSAAMTATL
KKSYDRKKPIIITGWTPHWMFSRYKLKYLDDPKQSYGSAEEIHTITRKGF
SKEQPNAAKLLSQFKWTQDEMGEIMIKVEEGEKPAKVAAEYVNKHKDQIA
EWTKGVQKVKGDKINLAYVAWDSEIASTNVIGKVLEDLGYEVTLTQVEAG
PMWTAIATGSADASLSAWLPNTHKAYAAKYKGKYDDIGTSMTGVKMGLVV
PQYMKNVNSIEDLKK
Ligand information
Ligand ID3Q7
InChIInChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
InChIKeySPTHHTGLGVZZRH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01[O-]C(=O)C[As+](C)(C)C
OpenEye OEToolkits 1.9.2C[As+](C)(C)CC(=O)[O-]
CACTVS 3.385C[As+](C)(C)CC([O-])=O
FormulaC5 H11 As O2
Name(trimethylarsonio)acetate
ChEMBLCHEMBL2448348
DrugBank
ZINC
PDB chain5nxx Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5nxx Arsenobetaine: an ecophysiologically important organoarsenical confers cytoprotection against osmotic stress and growth temperature extremes.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		S25 G26 I27 W72 W178 W225 T229 H230
Binding residue
(residue number reindexed from 1)		S18 G19 I20 W65 W171 W218 T222 H223
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:5nxx, PDBe:5nxx, PDBj:5nxx
PDBsum5nxx
PubMed29159878
UniProtP46922|OPUAC_BACSU Glycine betaine-binding protein OpuAC (Gene Name=opuAC)

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