Structure of PDB 4utg Chain B Binding Site BS02

Receptor Information
>4utg Chain B (length=345) Species: 272560 (Burkholderia pseudomallei K96243) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPTIIRARAPLRLGLAGGGTDVAPYADTFGGYVLNATIDRYAYAVIKTLT
IPAVRFVSTDQQVEKHQLISEPLELNGTLNLHKAVYNHMIRNYNHGKPIA
LELSTFCDAPAGSGLGSSSTLVVVMIKAFVELLNLPLDDYAIAQLAYRIE
RVDCGLAGGRQDQYSATFGGFNFMEFYAAARTIVNPLRIKNWVLCELEAS
LVLFYTGVSRESAKIIQDQSDNVVSHKTAAIEAMHGIKREALVMKEALLK
GDFKAFVASMRLGWDNKKNSARTVSNAHIDEIYDAAIRAGAQAGKVSGAG
GGGFMLFFVPTEKRMDLIRTLGEYDGQVSNCHFTKNGTQAWRIAN
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4utg Chain B Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4utg Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery.
Resolution1.93 Å
Binding residue
(original residue number in PDB)		S114 G115 L116 S118
Binding residue
(residue number reindexed from 1)		S113 G114 L115 S117
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.167: D-glycero-beta-D-manno-heptose-7-phosphate kinase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0050201 fucokinase activity
Biological Process
GO:0016310 phosphorylation
GO:0042352 GDP-L-fucose salvage

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Molecular Function
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Biological Process
External links
PDB RCSB:4utg, PDBe:4utg, PDBj:4utg
PDBsum4utg
PubMed26687481
UniProtH7C745

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