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MolNFT v1 · #52156 · protein

Crystal structure of xiap BIR3 with a bivalent smac mimetic

2VSL · Baculoviral iap repeat-containing protein 4: “Crystal structure of xiap BIR3 with a bivalent smac mimetic”. X-ray diffraction, 1 ligand (ZN). MolNFT v1 #52156 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2VSL
Type
protein
Length
100 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Baculoviral iap repeat-containing protein 4; Peptide (maa-lys-pro-phe)
EC
6.3.2.-
UniProt
P98170
Ligands
ZN

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABaculoviral iap repeat-containing protein 4 (EC 6.3.2.-)protein9640% helix, 9% strandP98170
BPeptide (maa-lys-pro-phe)protein40% helix, 50% strand—

Ligands and binding sites

  • ZN · Zinc ion · metal · chains A
  • 15P · Polyethylene glycol (N=34) · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Interfaces

1 interface between chains.

  • A–B · 366 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (nonstandard).

Compared structures

  • 2VSL · Crystal Structure of XIAP BIR3 with a Bivalent Smac Mimetic · the same entry in another collection · chain B against B, TM-score 1.00

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