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MolNFT v1 · #69194 · protein

Mcl-1 in complex with bim BH3 mutant I2DA

3KJ1 · Induced myeloid leukemia cell differentiation protein mcl- 1: “Mcl-1 in complex with bim BH3 mutant I2DA”. X-ray diffraction, 2 ligands (ZN, CL). MolNFT v1 #69194 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3KJ1
Type
protein
Length
174 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Induced myeloid leukemia cell differentiation protein mcl- 1; BCL-2-like protein 11
UniProt
Q07820, O43521
Ligands
ZN, CL

Structure

x-ray diffraction · 2 distinct chains · 74% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AInduced myeloid leukemia cell differentiation protein mcl- 1protein15272% helix, 0% strandQ07820
BBCL-2-like protein 11protein2291% helix, 0% strandO43521

Ligands and binding sites

  • ZN · Zinc ion · metal · 5 copies · chains A, B
  • CL · Chloride ion · ion · chains A
  • ACT · Acetate ion · additive · chains A, B

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

Interfaces

1 interface between chains.

  • A–B · 1051 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 3KJ1 · Mcl-1 in complex with Bim BH3 mutant I2dA · 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 0.95
  • 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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