Structure of PDB 3h45 Chain X Binding Site BS01

Receptor Information
>3h45 Chain X (length=499) Species: 37734 (Enterococcus casseliflavus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKNYVMAIDQGTTSSRAIIFDRNGKKIGSSQKEFPQYFPKSGWVEHNANE
IWNSVQSVIAGAFIESGIRPEAIAGIGITNQRETTVVWDKTTGQPIANAI
VWQSRQSSPIADQLKVDGHTEMIHEKTGLVIDAYFSATKVRWLLDNIEGA
QEKADNGELLFGTIDSWLVWKLTDGQVHVTDYSNASRTMLYNIHKLEWDQ
EILDLLNIPSSMLPEVKSNSEVYGHTRSYEFYGSEVPIAGMAGDQQAALF
GQMAFEKGMIKNTYGTGAFIVMNTGEEPQLSDNDLLTTIGYGINGKVYYA
LEGSIFVAGSAIQWLRDGLRMIETSPQSEELAAKAKGDNEVYVVPAFTGL
GAPYWDSEARGAVFGLTRGTTKEDFVRATLQAVAYQSKDVIDTMKKDSGI
DIPLLKVDGGAAKNDLLMQFQADILDIDVQRAANLETTALGAAYLAGLAV
GFWKDLDELKSMAEEGQMFTPEMPAEERDNLYEGWKQAVAATQTFKFKA
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain3h45 Chain X Residue 508 [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]
PDB3h45 Structural characterizations of glycerol kinase: unraveling phosphorylation-induced long-range activation
Resolution2.65 Å
Binding residue
(original residue number in PDB)		T14 T268
Binding residue
(residue number reindexed from 1)		T12 T266
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.30: glycerol kinase.
Gene Ontology
Molecular Function
GO:0004370 glycerol kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0016773 phosphotransferase activity, alcohol group as acceptor
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006071 glycerol metabolic process
GO:0006072 glycerol-3-phosphate metabolic process
GO:0016310 phosphorylation
GO:0019563 glycerol catabolic process
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3h45, PDBe:3h45, PDBj:3h45
PDBsum3h45
PubMed19102629
UniProtO34153|GLPK_ENTCA Glycerol kinase (Gene Name=glpK)

[Back to BioLiP]