Structure of PDB 5hko Chain A Binding Site BS01

Receptor Information
>5hko Chain A (length=314) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKRIGVTVYDMSSFITEGKEGMDTYAKANNIELVWNSANNDVSTQASQVD
SLINQGVDAIIVVPVQADSLGPQVASAKSKGIPLLAVNAALETPDLAGNV
QPDDVAAGAQEMQMMADRLGGKGNIVILQGPLGGSGEINRGKGIDQVLAK
YPDIKVLAKDTANWKRDEAVNKMKNWISSFGPQIDGVVAQNDDMGLGALQ
ALKEAGRTGVPIVGIDGIEDGLNAVKSGDFIGTSLQNGTVELSAGLAVAD
ALVKGEDVKTDPVYVMPAITKDNVDVAIEHVVTERQKFLDGLVELTQQNL
KTGDIAYEGIPGQT
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5hko Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5hko Crystal structure of ABC transporter Solute Binding Protein MSMEG_3598 from Mycobacterium smegmatis str. MC2 155, target EFI-510969, in complex with L-sorbitol
Resolution1.2 Å
Binding residue
(original residue number in PDB)		E50 E252
Binding residue
(residue number reindexed from 1)		E17 E219
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) V41
Catalytic site (residue number reindexed from 1) V8
Enzyme Commision number 3.6.3.17: Transferred entry: 7.5.2.8.
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
Biological Process
GO:0008643 carbohydrate transport
GO:0071322 cellular response to carbohydrate stimulus
Cellular Component
GO:0005886 plasma membrane

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Biological Process
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Cellular Component
External links
PDB RCSB:5hko, PDBe:5hko, PDBj:5hko
PDBsum5hko
PubMed
UniProtA0QYB3|XYPA_MYCS2 Xylitol-binding protein (Gene Name=xypA)

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