MolNFT v1 · #30028 · protein
Crystal structure of the macro-domain of human core histone variant MACROH2A1.1 (form B)
1ZR3 · Histone MACROH2A1.1: “Crystal structure of the macro-domain of human core histone variant MACROH2A1.1 (form B)”. X-ray diffraction, 9 pockets (best druggability 0.69). MolNFT v1 #30028 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1ZR3
- Type
- protein
- Length
- 740 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histone MACROH2A1.1
- Pockets
- 9 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Histone MACROH2A1.1 | protein | 186 | 41% helix, 21% strand | — |
| C, D | Histone MACROH2A1.1 | protein | 184 | 41% helix, 23% strand | — |
Ligands and binding sites
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 476 | 0.69 | 0.80 | 38 | empty |
| 2 | 397 | 0.69 | 0.81 | 53 | empty |
| 3 | 290 | 0.69 | 0.84 | 28 | empty |
| 4 | 114 | 0.59 | 0.85 | 24 | MES |
| 5 | 255 | 0.58 | 0.78 | 38 | empty |
Interfaces
5 interfaces between chains.
- A–D · 383 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 367 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 262 Ų buried · 3 hydrogen bonds · protein-protein
- B–D · 204 Ų buried · 0 hydrogen bonds · protein-protein
- A–B · 138 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 1ZR3 · Crystal structure of the macro-domain of human core histone variant macroH2A1.1 (form B) · the same entry in another collection · chain A against A, 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
- Elsewhere: RCSB PDB 1ZR3 · PDBe 1ZR3
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