Structure of PDB 8pts Chain B Binding Site BS01

Receptor Information
>8pts Chain B (length=193) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGPRPVVLSGPSGAGKSTLLKRLLQEHSGIFGFSVSHTTRNPRPGEENGK
DYYFVTREVMQRDIAAGDFIEHAEFSGNLYGTSKVAVQAVQAMNRICVLD
VDLQGVRNIKATDLRPIYISVQPPSLHVLEQRLRQRNTETEESLVKRLAA
AQADMESSKEPGLFDVVIINDSLDQAYAELKEALSEEIKKAQR
Ligand information
Ligand IDEIF
InChIInChI=1S/C11H15FN5O7P/c1-11(12)6(18)4(2-23-25(20,21)22)24-9(11)17-3-14-5-7(17)15-10(13)16-8(5)19/h3-4,6,9,18H,2H2,1H3,(H2,20,21,22)(H3,13,15,16,19)/t4-,6-,9-,11-/m1/s1
InChIKeyBOEZKCHYGLAVGV-GITKWUPZSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[C]1(F)[CH](O)[CH](CO[P](O)(O)=O)O[CH]1n2cnc3C(=O)NC(=Nc23)N
CACTVS 3.385C[C@@]1(F)[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H]1n2cnc3C(=O)NC(=Nc23)N
OpenEye OEToolkits 2.0.7C[C@]1([C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O)F
OpenEye OEToolkits 2.0.7CC1(C(C(OC1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O)F
FormulaC11 H15 F N5 O7 P
Name[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
ChEMBL
DrugBank
ZINC
PDB chain8pts Chain B Residue 201 [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]
PDB8pts Structural and functional basis for metabolic activation of the antiviral drug Bemnifosbuvir
Resolution1.76 Å
Binding residue
(original residue number in PDB)		S37 R41 Y53 E72 F76 Y81 G82
Binding residue
(residue number reindexed from 1)		S36 R40 Y52 E71 F75 Y80 G81
Annotation score2
Gene Ontology
Molecular Function
GO:0004385 guanylate kinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016301 kinase activity
Biological Process
GO:0006163 purine nucleotide metabolic process
GO:0006185 dGDP biosynthetic process
GO:0006805 xenobiotic metabolic process
GO:0015949 nucleobase-containing small molecule interconversion
GO:0016310 phosphorylation
GO:0019673 GDP-mannose metabolic process
GO:0034436 glycoprotein transport
GO:0046037 GMP metabolic process
GO:0046054 dGMP metabolic process
GO:0046060 dATP metabolic process
GO:0046711 GDP biosynthetic process
Cellular Component
GO:0001917 photoreceptor inner segment
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8pts, PDBe:8pts, PDBj:8pts
PDBsum8pts
PubMed39190717
UniProtQ16774|KGUA_HUMAN Guanylate kinase (Gene Name=GUK1)

[Back to BioLiP]