MolNFT v1 · #78726 · protein
Crystal structure of human MCPH1 tandem brct domains-gamma H2AX complex
3SHV · Microcephalin: “Crystal structure of human MCPH1 tandem brct domains-gamma H2AX complex”. X-ray diffraction, 2 pockets (best druggability 0.73). MolNFT v1 #78726 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3SHV
- Type
- protein
- Length
- 391 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Microcephalin; Histone H2A.X
- UniProt
- Q8NEM0, P16104
- Pockets
- 2 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 36% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Microcephalin | protein | 189 | 38% helix, 17% strand | Q8NEM0 |
| B | Microcephalin | protein | 190 | 35% helix, 17% strand | Q8NEM0 |
| C, D | Histone H2A.X | protein | 6 | 0% helix, 17% strand | P16104 |
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 662 | 0.73 | 0.80 | 83 | empty |
| 2 | 75 | 0.32 | 0.75 | 17 | empty |
Interfaces
3 interfaces between chains.
- A–B · 821 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 379 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 366 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 3SHV · Crystal structure of human MCPH1 tandem BRCT domains-gamma H2AX complex · the same entry in another collection · chain A against A, TM-score 1.00
- Q8NEM0 · AlphaFold monomer V2.0 prediction for microcephalin (Q8NEM0) · a predicted model of the same protein · chain A against A, TM-score 0.98
- P16104 · AlphaFold monomer V2.0 prediction for histone H2AX (P16104) · a predicted model of the same protein · chain C against A, TM-score 0.62
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q8NEM0
- Every structure of UniProt P16104
- Elsewhere: RCSB PDB 3SHV · PDBe 3SHV · UniProt Q8NEM0 · UniProt P16104
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