MolNFT v1 · #157190 · protein
Crystal structure of the STH1 bromodomain from S.CEREVISIAE
6MR4 · Nuclear protein STH1/NPS1: “Crystal structure of the STH1 bromodomain from S.CEREVISIAE”. X-ray diffraction, 9 pockets (best druggability 0.82). MolNFT v1 #157190 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6MR4
- Type
- protein
- Length
- 648 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nuclear protein STH1/NPS1
- EC
- 3.6.4.12
- UniProt
- P32597
- Pockets
- 9 · best druggability 0.82
Structure
x-ray diffraction · 3 distinct chains · 61% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Nuclear protein STH1/NPS1 (EC 3.6.4.12) | protein | 109 | 61% helix, 2% strand | P32597 |
| B | Nuclear protein STH1/NPS1 (EC 3.6.4.12) | protein | 106 | 61% helix, 2% strand | P32597 |
| D, E, F | Nuclear protein STH1/NPS1 (EC 3.6.4.12) | protein | 108 | 61% helix, 2% strand | P32597 |
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 470 | 0.82 | 0.88 | 66 | empty |
| 2 | 766 | 0.69 | 0.76 | 54 | empty |
| 3 | 697 | 0.64 | 0.73 | 64 | empty |
| 4 | 84 | 0.51 | 0.83 | 15 | empty |
| 5 | 81 | 0.51 | 0.83 | 16 | empty |
Interfaces
8 interfaces between chains.
- A–F · 1022 Ų buried · 14 hydrogen bonds · protein-protein
- B–F · 330 Ų buried · 5 hydrogen bonds · protein-protein
- C–F · 283 Ų buried · 6 hydrogen bonds · protein-protein
- D–F · 216 Ų buried · 2 hydrogen bonds · protein-protein
- E–F · 209 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
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 P32597
- Elsewhere: RCSB PDB 6MR4 · PDBe 6MR4 · UniProt P32597
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