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Ligand · CXC

CXC · [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

CXC, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate (C10 H17 N6 O13 P3, 522.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4…

Component
CXC
Formula
C10 H17 N6 O13 P3
Class
ligand
Structures
4
PDB entries
2

Binding sites

CXC in 4 structures; the first of them:

  • 7EM3 · Crystal structure of the PI5P4Kbeta-2a-ATP complex · CXC A502 · binds LYS96, TYR98, SER154, VAL157, ALA158, HIS161, ASN162, ARG188 and 2 more
  • 7EM8 · Crystal structure of the PI5P4Kbeta T201M-2a-ATP complex · CXC A502 · binds LYS96, TYR98, SER154, VAL157, ALA158, HIS161, ASN162, ARG188 and 2 more
  • 7EM3 · Crystal structure of the PI5P4KBETA-2A-ATP complex · CXC A502 · binds LYS96, TYR98, SER154, VAL157, ALA158, HIS161, ASN162, ARG188 and 2 more
  • 7EM8 · Crystal structure of the PI5P4KBETA T201M-2A-ATP complex · CXC A502 · binds LYS96, TYR98, SER154, VAL157, ALA158, HIS161, ASN162, ARG188 and 2 more

Residues it binds most

TYR 4, ALA 4, ARG 4, ASN 4, GLU 4, HIS 4, LYS 4, SER 4, VAL 4 (residue and the binding sites it lines).

Found with

  • CX0 · [(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate

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