Structure of PDB 8fmg Chain F Binding Site BS01

Receptor Information
>8fmg Chain F (length=353) Species: 317 (Pseudomonas syringae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FNTNDETKRIVWTQTAGHCELCGTDLTFDYRAGKPMKWGEVAHILPASPD
TANLMLLCPGCHDKIDRDADGYPENDLSGLHQAYLERIRLAATTPDGGRA
IPLIVQSQHFQTINDIPVRDLLTAMSAEGLTAFDQGIKIAFAAPGPRGRD
TTYWQNVKDSVQYELEQQLKRRGGTYGDSPALAVVGLADIPALMMLGQSI
GDRSKRLIFSFHREHLLRWPDQSAEPPSFLFTPPPNGDGPLALVLSISAQ
VPVRDVTDALPGARIAELSIPEPSYAMVQNRRVIHAFRDALQIRLSQLEA
LTPDPIHVFAAIPAALAIEFGALLTTQHQHTYLIFDRDKENQDRFTQTLQ
LGP
Ligand information
Ligand IDY4F
InChIInChI=1S/C20H24N10O12P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(32)13-8(40-19)2-38-44(35,36)42-14-11(31)7(1-37-43(33,34)41-13)39-20(14)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,34)(H,35,36)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
InChIKeyUZFVIESUDFOPOB-XPWFQUROSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](CO[P](O)(=O)O[CH]4[CH]3O)O[CH]5n6cnc7c(N)ncnc67
OpenEye OEToolkits 2.0.7c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OC5C(C(COP(=O)(O4)O)OC5n6cnc7c6ncnc7N)O)O)O)N
OpenEye OEToolkits 2.0.7c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6ncnc7N)O)O)O)N
ACDLabs 12.01Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC3C(OC(COP(=O)(O)OC2C1O)C3O)n1cnc2c(N)ncnc21
CACTVS 3.385Nc1ncnc2n(cnc12)[C@@H]3O[C@@H]4CO[P](O)(=O)O[C@@H]5[C@H](O)[C@@H](CO[P](O)(=O)O[C@H]4[C@H]3O)O[C@H]5n6cnc7c(N)ncnc67
FormulaC20 H24 N10 O12 P2
NameCyclic (adenosine-(2'-5')-monophosphate-adenosine-(3'-5')-monophosphate
ChEMBL
DrugBank
ZINC
PDB chain8fmg Chain E Residue 404 [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]
PDB8fmg Activation of CBASS-Cap5 endonuclease immune effector by cyclic nucleotides: A view at high resolution
Resolution1.79 Å
Binding residue
(original residue number in PDB)		D231 R232 T355 Q356 H357
Binding residue
(residue number reindexed from 1)		D202 R203 T326 Q327 H328
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:8fmg, PDBe:8fmg, PDBj:8fmg
PDBsum8fmg
PubMed38321146
UniProtA0A2P0QGK5

[Back to BioLiP]