Structure of PDB 5iai Chain A Binding Site BS01

Receptor Information
>5iai Chain A (length=399) Species: 311403 (Rhizobium rhizogenes K84) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPLDGVTLTLASQNDPFGAVLTKLAAEFKQDTGADLKVEVMDYGTLLTKT
TADFVGKTKGYDLVTMDIVWAGAYQANGYSVDLTDWVKRDAAELDLDDIY
PVILQSLGQYKGHYVAFPFAAYANVLAYRKDLFQAAGLPVPTTVEELVSD
AKKLTDPSKKQYGFVANGQKGPAVAQDWMQYNNQMGGSILDNDGKPALNS
PENVKSLTVYKQLFVETAPPGAIEYDWGGREESFRQGAAAMMQTWSVGAP
GYSDPASSNVVGKVGITTAPVGKGVPPQYGVGGWGMAINADIDPKQKEAA
WTFIKWLVSKKIHKEFNMDGAGSFMRKSQMTDPDLTAKFDFLPVVAKTYE
NGNGEYRPRIPEYPEIQDILGSAVNSVLAGAAEPQAALDEAQVEAKKLF
Ligand information
Ligand IDRB0
InChIInChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5-
InChIKeyHEBKCHPVOIAQTA-ZXFHETKHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C(C(C(CO)O)O)O)O
CACTVS 3.370OC[CH](O)[CH](O)[CH](O)CO
ACDLabs 12.01OC(CO)C(O)C(O)CO
OpenEye OEToolkits 1.7.6C([C@H](C([C@H](CO)O)O)O)O
CACTVS 3.370OC[C@H](O)[C@H](O)[C@H](O)CO
FormulaC5 H12 O5
NameD-ribitol
ChEMBLCHEMBL3137744
DrugBankDB14704
ZINCZINC000100014205
PDB chain5iai Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5iai Crystal structure of ABC transporter Solute Binding Protein Arad_9887 from Agrobacterium radiobacter K84, target EFI-510945 in complex with Ribitol
Resolution1.6 Å
Binding residue
(original residue number in PDB)		D47 D99 Q208 W259 W277 G315 W316 R389
Binding residue
(residue number reindexed from 1)		D15 D67 Q176 W227 W245 G283 W284 R357
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0042597 periplasmic space

View graph for
Cellular Component
External links
PDB RCSB:5iai, PDBe:5iai, PDBj:5iai
PDBsum5iai
PubMed
UniProtB9JM84

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