› 4gm3

X-ray diffraction
3.39Å resolution

Crystal structure of human WD repeat domain 5 with compound MM-101

Released:
DOI: 10.2210/pdb4gm3/pdb
PDB entry 4gm3 coloured by chain, front view.
PDB entry 4gm3 coloured by chain, side view.
PDB entry 4gm3 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
High-affinity, small-molecule peptidomimetic inhibitors of MLL1/WDR5 protein-protein interaction.
Karatas H, Townsend EC, Cao F, Chen Y, Bernard D, Liu L, Lei M, Dou Y, Wang S
J Am Chem Soc 135 669-82 (2013)
PMID: 23210835

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-548815 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
WD repeat-containing protein 5 Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 313 amino acids
Theoretical weight: 34.39 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P61964 (Residues: 22-334; Coverage: 94%)
Gene names: BIG3, WDR5
Sequence domains: WD domain, G-beta repeat
Structure domains: YVTN repeat-like/Quinoprotein amine dehydrogenase
MM-101 Chains: I, J, K, L, M, N, O, P
Molecule details ›
Chains: I, J, K, L, M, N, O, P
Length: 5 amino acids
Theoretical weight: 635 Da
Source organism: Homo sapiens
Expression system: Not provided

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P1
Unit cell:
a: 48.943Å b: 105.985Å c: 120.907Å
α: 90° β: 89.76° γ: 90.03°
R-values:
R R work R free
0.197 0.195 0.226
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

46 review citations

Writing, erasing and reading histone lysine methylations.
Hyun et al. (2017)
45 more

1 mention without citation

High-affinity, small-molecule peptidomimetic inhibitors of MLL1/WDR5 protein-protein interaction.
Karatas et al. (2013)