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MolNFT v1 · #165909 · protein

Human mcl-1 in complex with a modified bim BH3 peptide

6UA3 · Induced myeloid leukemia cell differentiation protein mcl- 1: “Human mcl-1 in complex with a modified bim BH3 peptide”. X-ray diffraction, 2 ligands (ACE, NH2). MolNFT v1 #165909 on GenesisL1: 3D structure, binding sites and pockets…

PDB
6UA3
Type
protein
Length
176 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Induced myeloid leukemia cell differentiation protein mcl- 1; Modified bim BH3 peptide
UniProt
Q07820
Ligands
ACE, NH2

Structure

x-ray diffraction · 2 distinct chains · 77% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AInduced myeloid leukemia cell differentiation protein mcl- 1protein15577% helix, 0% strandQ07820
BModified bim BH3 peptideprotein2176% helix, 0% strand—

Ligands and binding sites

  • ACE · Acetyl group · ligand · chains A, B
  • NH2 · Amino group · ion · 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 · 983 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 modified, 1 covalent (nonstandard, covalent ligand).

Compared structures

  • 6UA3 · Human Mcl-1 in complex with a modified Bim BH3 peptide · the same entry in another collection · chain A against A, TM-score 1.00

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