Structure of PDB 8tfo Chain B Binding Site BS01

Receptor Information
>8tfo Chain B (length=387) Species: 947166 (Ramazzottius varieornatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSNLRHLRVSAPGKIILHGEHAVVYQKTAVALSLGLRTRLDLTETTDGRI
SIIMDKFLQHTSWSVEELSKIIDKVKIDANNPETELDQELVEDLRMMTYS
TQSVALVGFLYILVKLCKFSGKQRPPSIQISISSDIAISAGLGSSAAFAV
CLSASLLSYLGIIVCDRKNCADVDGKLVPSADQLALINHWAFMVEKIVHG
SASGVDNAVSTYGGSIKYRNNELTRIGSGLKLDVLIVDTHVQRDTKKMLD
IVRHRRKLYPAITNPVLEAIDGISETSSKILQHGDGLPTGEEYEVIADLV
RMNQNLLSTLGVSHPKLDVICETASRFGQAGKLTGAGGGGCAIVVLDPDM
RQFEHLRESIIAEYRRMEFKPHLAELGGPGVLFHPVP
Ligand information
Ligand IDMEV
InChIInChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/p-1/t6-/m1/s1
InChIKeyKJTLQQUUPVSXIM-ZCFIWIBFSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(CCO)(CC(=O)[O-])O
CACTVS 3.341C[C@@](O)(CCO)CC([O-])=O
ACDLabs 10.04O=C([O-])CC(O)(C)CCO
OpenEye OEToolkits 1.5.0C[C@@](CCO)(CC(=O)[O-])O
CACTVS 3.341C[C](O)(CCO)CC([O-])=O
FormulaC6 H11 O4
Name(R)-MEVALONATE
ChEMBL
DrugBank
ZINC
PDB chain8tfo Chain B Residue 501 [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]
PDB8tfo Characterization of novel mevalonate kinases from the tardigrade Ramazzottius varieornatus and the psychrophilic archaeon Methanococcoides burtonii.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		I16 E20 H21 V23 S221 D224
Binding residue
(residue number reindexed from 1)		I16 E20 H21 V23 S203 D206
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.36: mevalonate kinase.
Gene Ontology
Molecular Function
GO:0004496 mevalonate kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0016773 phosphotransferase activity, alcohol group as acceptor
GO:0046872 metal ion binding
Biological Process
GO:0006695 cholesterol biosynthetic process
GO:0008299 isoprenoid biosynthetic process
GO:0016126 sterol biosynthetic process
GO:0016310 phosphorylation
GO:0019287 isopentenyl diphosphate biosynthetic process, mevalonate pathway
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8tfo, PDBe:8tfo, PDBj:8tfo
PDBsum8tfo
PubMed38411551
UniProtA0A1D1VW28

[Back to BioLiP]