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Ligand · BW0

BW0 · [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid

BW0, [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid (C20 H27 N3 O13 P2, 579.4 g/mol)…

Component
BW0
Formula
C20 H27 N3 O13 P2
Class
ligand
Structures
4
PDB entries
2

Binding sites

BW0 in 4 structures; the first of them:

  • 7QGL · Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative… · BW0 A604 · binds ASP47, SER49, LYS50, ARG354, ASN390, GLY392, GLY393, ARG395 and 5 more
  • 7QGO · Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative… · BW0 A603 · binds ASP36, HIS38, ASP85, GLN88, ASN117, HIS118, ASP121, ASN122 and 17 more
  • 7QGL · Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl- cmpcp derivative… · BW0 A604 · binds ASP47, SER49, ARG354, ASN390, GLY392, GLY393, ARG395, PRO416 and 4 more
  • 7QGO · Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl- cmpcp derivative… · BW0 A603 · binds ASP36, HIS38, ASP85, GLN88, ASN117, HIS118, ASP121, LEU184 and 11 more

Residues it binds most

ASP 4, GLY 4, ASN 4, ARG 4, PHE 4, HIS 2, PRO 3, SER 3, GLN 2, LEU 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • CA · Calcium ion
  • 1PE · Pentaethylene glycol

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