Structure of PDB 3ct4 Chain B Binding Site BS01

Receptor Information
>3ct4 Chain B (length=318) Species: 1360 (Lactococcus lactis subsp. lactis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKIINQPQDVVSEMLDGLTYAYGDLIEKVPDFEIIQRKSPKSGKVALVSG
GGSGHEPAHAGFVGEGMLSAAVCGAIFTSPTPDQIYEAIKSADEGAGVLL
IIKNYLGDVMNFEMAREMAEMEEIKVEQIIVDDDIAVENSLYTQGRRGVA
GTVLVHKILGAAAHQEASLDEIKDLADKVVKNIKTIGLALSAATVPDNEI
EYGVGIHSEPGYRREKMKTSYELATELVGKLKEEFKFEAGQKYGILVNGM
GATPLMEQFIFMNDVAKLLTEENIEILFKKVGNYMTSIDMAGLSLTMIKL
EDDQWLKNLNEDVKTISW
Ligand information
Ligand ID2HA
InChIInChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2
InChIKeyRXKJFZQQPQGTFL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(=O)CO)O
ACDLabs 10.04O=C(CO)CO
CACTVS 3.341OCC(=O)CO
FormulaC3 H6 O3
NameDihydroxyacetone
ChEMBLCHEMBL1229937
DrugBankDB01775
ZINCZINC000084397769
PDB chain3ct4 Chain B Residue 333 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ct4 X-ray Structures of the Three Lactococcus lactis Dihydroxyacetone Kinase Subunits and of a Transient Intersubunit Complex.
Resolution2.498 Å
Binding residue
(original residue number in PDB)		G54 G55 H58 F80 K106 D111 H220
Binding residue
(residue number reindexed from 1)		G51 G52 H55 F77 K103 D108 H207
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.121: phosphoenolpyruvate--glycerone phosphotransferase.
Gene Ontology
Molecular Function
GO:0004371 glycerone kinase activity
GO:0016301 kinase activity
GO:0047324 phosphoenolpyruvate-glycerone phosphotransferase activity
Biological Process
GO:0006071 glycerol metabolic process
GO:0016310 phosphorylation
GO:0019563 glycerol catabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Cellular Component
External links
PDB RCSB:3ct4, PDBe:3ct4, PDBj:3ct4
PDBsum3ct4
PubMed18957416
UniProtQ9CIV8|DHAK_LACLA PTS-dependent dihydroxyacetone kinase, dihydroxyacetone-binding subunit DhaK (Gene Name=dhaK)

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