Structure of PDB 1bu6 Chain X Binding Site BS01

Receptor Information
>1bu6 Chain X (length=498) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKYIVALDQGTTSSRAVVMDHDANIISVSQREFEQIYPKPGWVEHDPMEI
WATQSSTLVEVLTKADISSDQIAAIGITNQRETTIVWEKETGKPIYNAIV
WQCRRTAEICEHLKRDGLEDYIRSNTGLVIDPYFSGTKVKWILDHVEGSR
ERARRGELLFGTVDTWLIWKMTQGRVHVTDYTNASRTMLFNIHTLDWDDK
MLEVLDIPREMLPEVRRSSEVYGQTNIGGKGGTRIPISGIAGDQQAALFG
QLCVKEGMAKNTYGTGCFMLMNTGEKAVKSENGLLTTIACGPTGEVNYAL
EGAVFMAGASIQWLRDEMKLINDAYDSEYFATKVQNTNGVYVVPAFTGLG
APYWDPYARGAIFGLTRGVNANHIIRATLESIAYQTRDVLEAMQADSGIR
LHALRVDGGAVANNFLMQFQSDILGTRVERPEVREVTALGAAYLAGLAVG
FWQNLDELQEKAVIEREFRPGIETTERNYRYAGWKKAVKRAMAWEEHD
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain1bu6 Chain X Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bu6 Glycerol kinase from Escherichia coli and an Ala65-->Thr mutant: the crystal structures reveal conformational changes with implications for allosteric regulation.
Resolution2.37 Å
Binding residue
(original residue number in PDB)		R83 E84 W103 D245 Q246
Binding residue
(residue number reindexed from 1)		R81 E82 W101 D243 Q244
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.30: glycerol kinase.
Gene Ontology
Molecular Function
GO:0004370 glycerol kinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008270 zinc ion binding
GO:0016301 kinase activity
GO:0016773 phosphotransferase activity, alcohol group as acceptor
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006071 glycerol metabolic process
GO:0006072 glycerol-3-phosphate metabolic process
GO:0006974 DNA damage response
GO:0016310 phosphorylation
GO:0019563 glycerol catabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1bu6, PDBe:1bu6, PDBj:1bu6
PDBsum1bu6
PubMed9817843
UniProtP0A6F3|GLPK_ECOLI Glycerol kinase (Gene Name=glpK)

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