Structure of PDB 6zq6 Chain D Binding Site BS01

Receptor Information
>6zq6 Chain D (length=509) 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
LGAAIAAGLATGVWRELDHVKESIAGREVFYPKMDRKKAERLFRKWEQAV
EMSRGWVRE
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 chain6zq6 Chain D Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6zq6 Structural Characterization of Glycerol Kinase from the Thermophilic Fungus Chaetomium thermophilum .
Resolution2.3 Å
Binding residue
(original residue number in PDB)		R148 E149 W168 D317 F342
Binding residue
(residue number reindexed from 1)		R84 E85 W104 D253 F278
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

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Molecular Function
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Biological Process
External links
PDB RCSB:6zq6, PDBe:6zq6, PDBj:6zq6
PDBsum6zq6
PubMed33339113
UniProtG0SAG9

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