Structure of PDB 8p4q Chain A Binding Site BS01

Receptor Information
>8p4q Chain A (length=388) Species: 1148 (Synechocystis sp. PCC 6803) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMNITIGRGKTARRAYGIDEIALVPGVRTLDPALADTRWKVGAIEREI
PIIASAMDGVVDSRMAVLLSELGALGVVNLEGIQTRYEDPNPILDRIASV
GKTEFVGLMQELYAEPIKPELITKRIQEIQAAGGIAAVSLTPVGASKYAS
TVAEAGADLLFIQATVVSTAHLSPVESLDLVKLCQEMPMPVVLGNCVTYE
VSLELMRAGAAAVLVGIGPGAACTSRGVLGVGVPQPTAIADCAAARDDYL
QETGRYVPVIADGGIITGGDICKCIACGADAVMIGSPIARAAEAPGRGFH
WGMATPSPVLPRGTRINVGTTGTIREILVGPAKLDDGTHNLLGAIKTSMG
TLGAKDMKEMQQVDVVIAPSLLTEGKVYQKAQQLGMGK
Ligand information
Ligand IDIMP
InChIInChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyGRSZFWQUAKGDAV-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.5c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O
ACDLabs 10.04O=C1c2ncn(c2N=CN1)C3OC(C(O)C3O)COP(=O)(O)O
OpenEye OEToolkits 1.7.5c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=CNC2=O
CACTVS 3.385O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23
CACTVS 3.385O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23
FormulaC10 H13 N4 O8 P
NameINOSINIC ACID
ChEMBLCHEMBL1207374
DrugBankDB04566
ZINCZINC000004228242
PDB chain8p4q Chain A Residue 401 [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]
PDB8p4q GuaB3, an overlooked enzyme in cyanobacteria's toolbox that sheds light on IMP dehydrogenase evolution.
Resolution1.88 Å
Binding residue
(original residue number in PDB)		S52 M54 G219 A220 C222 D261 G263 G284 H299 G301 M302 A303 R311
Binding residue
(residue number reindexed from 1)		S55 M57 G220 A221 C223 D262 G264 G285 H300 G302 M303 A304 R312
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003824 catalytic activity
GO:0003938 IMP dehydrogenase activity
GO:0016491 oxidoreductase activity
Biological Process
GO:0006164 purine nucleotide biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8p4q, PDBe:8p4q, PDBj:8p4q
PDBsum8p4q
PubMed37875114
UniProtP73853

[Back to BioLiP]