MolNFT v1 · #112345 · protein
Crystal structure of CORE/LATCH dimer of bax in complex with BIDBH3MINI
4ZIG · Apoptosis regulator bax: “Crystal structure of CORE/LATCH dimer of bax in complex with BIDBH3MINI”. X-ray diffraction, 1 ligand (ACE), 2 pockets (best druggability 0.37). MolNFT v1 #112345 on GenesisL1: 3D structure, binding sites…
- PDB
- 4ZIG
- Type
- protein
- Length
- 172 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Apoptosis regulator bax; BH3-interacting domain death agonist
- UniProt
- Q07812, P55957
- Ligands
- ACE
- Pockets
- 2 · best druggability 0.37
Structure
x-ray diffraction · 2 distinct chains · 77% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Apoptosis regulator bax | protein | 152 | 76% helix, 0% strand | Q07812 |
| B | BH3-interacting domain death agonist | protein | 20 | 85% helix, 0% strand | P55957 |
Ligands and binding sites
- ACE · Acetyl group · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 83 | 0.37 | 0.76 | 14 | empty |
| 2 | 75 | 0.33 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 833 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 4ZIG · Crystal Structure of core/latch dimer of Bax in complex with BidBH3mini · the same entry in another collection · chain A against A, TM-score 1.00
- P55957 · AlphaFold monomer V2.0 prediction for BH3-interacting domain death agonist (P55957) · a predicted model of the same protein · chain B against A, TM-score 0.71
- Q07812 · AlphaFold monomer V2.0 prediction for apoptosis regulator bax (Q07812) · a predicted model of the same protein · chain A against A, TM-score 0.70
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 Q07812
- Every structure of UniProt P55957
- Elsewhere: RCSB PDB 4ZIG · PDBe 4ZIG · UniProt Q07812 · UniProt P55957
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