MolNFT v1 · #40151 · protein
Crystal structure of the bric-a-brac (btb) domain of human BACH1
2IHC · Transcription regulator protein BACH1: “Crystal structure of the bric-a-brac (btb) domain of human BACH1”. X-ray diffraction, 2 pockets (best druggability 0.61). MolNFT v1 #40151 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 2IHC
- Type
- protein
- Length
- 462 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcription regulator protein BACH1
- UniProt
- O14867
- Pockets
- 2 · best druggability 0.61
Structure
x-ray diffraction · 4 distinct chains · 49% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcription regulator protein BACH1 | protein | 117 | 50% helix, 22% strand | O14867 |
| B | Transcription regulator protein BACH1 | protein | 113 | 47% helix, 23% strand | O14867 |
| C | Transcription regulator protein BACH1 | protein | 117 | 49% helix, 22% strand | O14867 |
| D | Transcription regulator protein BACH1 | protein | 115 | 51% helix, 22% strand | O14867 |
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 | 353 | 0.61 | 0.78 | 61 | empty |
| 2 | 59 | 0.35 | 0.78 | 15 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1719 Ų buried · 27 hydrogen bonds · protein-protein
- C–D · 1716 Ų buried · 24 hydrogen bonds · protein-protein
- B–C · 407 Ų buried · 4 hydrogen bonds · protein-protein
- B–D · 208 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 193 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 2IHC · Crystal structure of the bric-a-brac (BTB) domain of human BACH1 · the same entry in another collection · chain D against D, TM-score 1.00
- O14867 · AlphaFold monomer V2.0 prediction for transcription regulator protein BACH1 (O14867) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 O14867
- Elsewhere: RCSB PDB 2IHC · PDBe 2IHC · UniProt O14867
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