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Ligand · VUS

VUS · 3-[(3~{A}~{S},4~{S},6~{A}~{R})-4-carboxy-2,3,4,5,6, 6~{A}-hexahydro-1~{H}-pyrrolo[2,3-c]pyrrol-3~{A}-yl]propyl-$L^{3}-oxidanyl-bis(oxidanyl)boranuide

VUS, 3-[(3~{A}~{S},4~{S},6~{A}~{R})-4-carboxy-2,3,4,5,6, 6~{A}-hexahydro-1~{H}-pyrrolo[2,3-c]pyrrol-3~{A}-yl]propyl-$L^{3}-oxidanyl-bis(oxidanyl)boranuide (C10 H20 B N2 O5 -1, 259.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
VUS
Formula
C10 H20 B N2 O5 -1
Class
ligand
Structures
2
PDB entries
1

Binding sites

VUS in 2 structures; the first of them:

  • 7K4K · Human Arginase 1 in complex with compound 52. · VUS A1003 · binds HIS101, ASP124, HIS126, ASP128, ASN130, THR135, SER137, ASN139 and 9 more
  • 7K4K · Human arginase 1 in complex with compound 52. · VUS A1003 · binds HIS101, ASP124, HIS126, ASP128, ASN130, SER137, HIS141, GLY142 and 7 more

Residues it binds most

ASP 12, HIS 12, GLU 12, THR 12, ASN 12, GLY 12, SER 12 (residue and the binding sites it lines).

Found with

  • MN · Manganese (II) ion

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