Structure of PDB 4ut4 Chain A Binding Site BS01

Receptor Information
>4ut4 Chain A (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 IDMAN
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain4ut4 Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4ut4 Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery.
Resolution1.94 Å
Binding residue
(original residue number in PDB)		D22 G159 G160 Q162 D163 I217 A300
Binding residue
(residue number reindexed from 1)		D21 G158 G159 Q161 D162 I216 A299
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4ut4, PDBe:4ut4, PDBj:4ut4
PDBsum4ut4
PubMed26687481
UniProtH7C745

[Back to BioLiP]