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MolNFT v1 · #45805 · protein

Crystal structure of the mcl-1:BIM BH3 complex

2NL9 · Fusion protein consisting of induced myeloid leukemia cell…: “Crystal structure of the mcl-1:BIM BH3 complex”. X-ray diffraction, 2 ligands (ZN, CL). MolNFT v1 #45805 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2NL9
Type
protein
Length
165 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fusion protein consisting of induced myeloid leukemia cell differentiation protein mcl-1…
UniProt
P97287, Q07820, O43521
Ligands
ZN, CL

Structure

x-ray diffraction · 2 distinct chains · 79% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFusion protein consisting of induced myeloid leukemia cell differentiation protein mcl-1 homologprotein14277% helix, 0% strandP97287, Q07820
BBCL-2-like protein 11protein2391% helix, 0% strandO43521

Ligands and binding sites

  • ZN · Zinc ion · metal · 7 copies · chains A, B
  • CL · Chloride ion · ion · chains A

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

Interfaces

1 interface between chains.

  • A–B · 1068 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (engineered).

Compared structures

  • 2NL9 · Crystal structure of the Mcl-1:Bim BH3 complex · the same entry in another collection · chain A against A, TM-score 1.00
  • Q07820 · AlphaFold monomer V2.0 prediction for induced myeloid leukemia cell differentiation… · a predicted model of the same protein · chain A against A, TM-score 0.94
  • P97287 · AlphaFold monomer V2.0 prediction for induced myeloid leukemia cell differentiation… · a predicted model of the same protein · chain A against A, TM-score 0.94
  • O43521 · AlphaFold monomer V2.0 prediction for BCL-2-like protein 11 (O43521) · a predicted model of the same protein · chain B against A, TM-score 0.79

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