Structure of PDB 6hbm Chain A Binding Site BS06

Receptor Information
>6hbm Chain A (length=304) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALTLGFAQVGAESGWRTANTESIKSAAEEAGVNLKFADANGEQEKQISAI
RSFIQQGVDVIAFSPVVRTGWDAVLQETKNAGIPVILTDRAVDTQDTDVY
KTFIGADFIEEGRRAGQWVADQYASATGPVNIVQLEGTTGADPAIDRKTG
FAEGISKNPNLKIVASQTGDFTRSGGKQVMEAFLKSTPQIDVVFAQNDDM
GLGAMEAIEAAGKKPGTDIKIVAVDATHDGMQALADGKFNYIVECNPLLG
PELMDLAKKVAAGEPVPERVVTPDEAFDQAQAKAALPNRQYKLAAALEHH
HHHH
Ligand information
Ligand IDAHR
InChIInChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5+/m0/s1
InChIKeyHMFHBZSHGGEWLO-QMKXCQHVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@@H]1O[C@@H](O)[C@H](O)[C@H]1O
ACDLabs 10.04OC1C(OC(O)C1O)CO
FormulaC5 H10 O5
Namealpha-L-arabinofuranose;
alpha-L-arabinose;
L-arabinose;
arabinose
ChEMBL
DrugBankDB03142
ZINCZINC000002569310
PDB chain6hbm Chain A Residue 408 [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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PDB6hbm Detection and Characterization of a Mycobacterial L-Arabinofuranose ABC Transporter Identified with a Rapid Lipoproteomics Protocol.
Resolution2.76 Å
Binding residue
(original residue number in PDB)		E28 S29 D105 R106 R163 N213 D241
Binding residue
(residue number reindexed from 1)		E12 S13 D89 R90 R147 N197 D225
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=5.02,Kd=9.6uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6hbm, PDBe:6hbm, PDBj:6hbm
PDBsum6hbm
PubMed31006617
UniProtA0QT50

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