Structure of PDB 1ko8 Chain A Binding Site BS01

Receptor Information
>1ko8 Chain A (length=172) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTNHDHHIYVLMGVSGSGKSAVASEVAHQLHAAFLDGDFLHPRRNIEKMA
SGEPLNDDDRKPWLQALNDAAFAMQRTNKVSLIVCSALKKHYRDLLREGN
PNLSFIYLKGDFDVIESRLKARKGHFFKTQMLVTQFETLQEPGADETDVL
VVDIDQPLEGVVASTIEVIKKG
Ligand information
Ligand ID6PG
InChIInChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1
InChIKeyBIRSGZKFKXLSJQ-SQOUGZDYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O
OpenEye OEToolkits 1.5.0C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(O)C(O)C(=O)O
OpenEye OEToolkits 1.5.0C(C(C(C(C(C(=O)O)O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)C(O)=O
FormulaC6 H13 O10 P
Name6-PHOSPHOGLUCONIC ACID
ChEMBLCHEMBL1230513
DrugBankDB02076
ZINCZINC000001532623
PDB chain1ko8 Chain A Residue 502 [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]
PDB1ko8 Conformational changes during the catalytic cycle of gluconate kinase as revealed by X-ray crystallography.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		S17 L121
Binding residue
(residue number reindexed from 1)		S15 L119
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.12: gluconokinase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0042803 protein homodimerization activity
GO:0046316 gluconokinase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0016310 phosphorylation
GO:0046177 D-gluconate catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1ko8, PDBe:1ko8, PDBj:1ko8
PDBsum1ko8
PubMed12054802
UniProtP46859|GNTK_ECOLI Thermoresistant gluconokinase (Gene Name=gntK)

[Back to BioLiP]