Structure of PDB 6zq4 Chain B Binding Site BS02

Receptor Information
>6zq4 Chain B (length=510) Species: 759272 (Thermochaetoides thermophila DSM 1495) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSFVGSIDQGTTSSRFLIFNGEGNPVASHQIEFENLYPKSGWHEQDPYEL
LNSVQQCIDGAMHKFASLGYSKENIRAIGITNQRETTVVWDSVTGEPLHN
AIVWPDTRTSALVRELKARQSADSLLELCGLPLSTYPSSVKLLWLIQNVD
AVKQAYEEGRLAFGTVDSWLIYKLNGGAQAERPIHVTDSTNASRTMFMNL
RTLQYDDKLLGFFGIDRNKIKLPKIVPSSDPEAFGKVATGALAGVPIAGC
LGDQSSALVGQCGFSPGQAKNTYGTGCFLLYNVGTEPVISKYGLLATVAY
DFGRGRKPVYALEGSIAVAGAGITFLMNNLGFAPKPSEINALAESVLDNG
GVVFVTAFSGLFAPYWIDDAKGTLFGITQHTTKGHIARATLEATCYQTRA
ILDAMEKDSGHKLESLAVDGGLSASDLCMQTQADISGIPVDRPRMRETTA
LGAAIAAGLATGVWRELDHVKESIAGGREVFYPKMDRKKAERLFRKWEQA
VEMSRGWVRE
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 chain6zq4 Chain B Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6zq4 Structural Characterization of Glycerol Kinase from the Thermophilic Fungus Chaetomium thermophilum .
Resolution2.02 Å
Binding residue
(original residue number in PDB)		R148 E149 W168 D317
Binding residue
(residue number reindexed from 1)		R84 E85 W104 D253
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.30: glycerol kinase.
Gene Ontology
Molecular Function
GO:0004370 glycerol kinase activity
GO:0016301 kinase activity
GO:0016773 phosphotransferase activity, alcohol group as acceptor
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006072 glycerol-3-phosphate metabolic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:6zq4, PDBe:6zq4, PDBj:6zq4
PDBsum6zq4
PubMed33339113
UniProtG0SAG9

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