MolNFT v1 · #79315 · protein
Structure of human microcephalin (MCPH1) tandem brct domains in complex with a gamma-H2AX phosphopeptide
3SZM: “Structure of human microcephalin (MCPH1) tandem brct domains in complex with a gamma-H2AX phosphopeptide”. X-ray diffraction, 14 pockets (best druggability 0.65). MolNFT v1 #79315 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3SZM
- Type
- protein
- Length
- 1,561 residues
- Chains
- 16
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Microcephalin; Histone H2A.X
- UniProt
- Q8NEM0, P16104
- Pockets
- 14 · best druggability 0.65
Structure
x-ray diffraction · 6 distinct chains · 36% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D, F | Microcephalin | protein | 189 | 37% helix, 17% strand | Q8NEM0 |
| C, G | Microcephalin | protein | 191 | 36% helix, 16% strand | Q8NEM0 |
| E | Microcephalin | protein | 187 | 36% helix, 16% strand | Q8NEM0 |
| H | Microcephalin | protein | 190 | 38% helix, 16% strand | Q8NEM0 |
| I, J, L, M, N, O | Histone H2A.X | protein | 6 | 0% helix, 17% strand | P16104 |
| K, P | Histone H2A.X | protein | 5 | 0% helix, 20% strand | P16104 |
Pockets
14 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 715 | 0.65 | 0.74 | 96 | empty |
| 2 | 450 | 0.58 | 0.74 | 54 | empty |
| 3 | 328 | 0.53 | 0.74 | 42 | empty |
| 4 | 105 | 0.51 | 0.82 | 21 | empty |
| 5 | 219 | 0.47 | 0.74 | 34 | empty |
Interfaces
18 interfaces between chains.
- C–F · 705 Ų buried · 7 hydrogen bonds · protein-protein
- F–H · 404 Ų buried · 7 hydrogen bonds · protein-protein
- A–G · 403 Ų buried · 4 hydrogen bonds · protein-protein
- E–M · 393 Ų buried · 8 hydrogen bonds · protein-protein
- H–P · 386 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (phosphorylation).
Compared structures
- 3SZM · Structure of human microcephalin (MCPH1) tandem brct domains in complex with a gamma-H2AX… · the same entry in another collection · chain P against P, TM-score 1.00
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 3SZM · PDBe 3SZM · UniProt Q8NEM0 · UniProt P16104
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