MolNFT v1 · #86051 · protein + DNA
Crystal structure of the bzip homodimeric mafb in complex with the C- mare binding site
4AUW · Transcription factor mafb: “Crystal structure of the bzip homodimeric mafb in complex with the C- mare binding site”. X-ray diffraction, 1 ligand (HG), 9 pockets (best druggability 0.75). MolNFT v1 #86051 on GenesisL1: 3D structure…
- PDB
- 4AUW
- Type
- protein + DNA
- Length
- 435 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcription factor mafb; C-mare binding site (5'-D(*AP*TP*AP*AP*TP*GP*CP*TP*…
- UniProt
- P54841
- Ligands
- HG
- Pockets
- 9 · best druggability 0.75
Structure
x-ray diffraction · 6 distinct chains · 86% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcription factor mafb | protein | 87 | 86% helix, 0% strand | P54841 |
| B | Transcription factor mafb | protein | 85 | 89% helix, 0% strand | P54841 |
| C, H | C-mare binding site (5'-D(*AP*TP*AP*AP*TP*GP*CP*TP* GP*AP*CP*GP*TP*CP*AP*GP*CP*AP*AP*TP*T)-3') | dna | 21 | — | — |
| D, G | C-mare binding site (5'-D(*AP*TP*AP*AP*TP*GP*CP*TP* GP*AP*CP*GP*TP*CP*AP*GP*CP*AP*AP*TP*T)-3') | dna | 21 | — | — |
| E | Transcription factor mafb | protein | 90 | 82% helix, 0% strand | P54841 |
| F | Transcription factor mafb | protein | 89 | 87% helix, 0% strand | P54841 |
Ligands and binding sites
- HG · Mercury (II) ion · metal · 4 copies · chains A, D, B, C, E, G, F, H
- DTU · (2R,3S)-1,4-dimercaptobutane-2,3-diol · additive · chains B, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 688 | 0.75 | 0.81 | 48 | HG |
| 2 | 624 | 0.75 | 0.81 | 47 | empty |
| 3 | 801 | 0.73 | 0.78 | 54 | DTU |
| 4 | 98 | 0.42 | 0.78 | 15 | empty |
| 5 | 80 | 0.41 | 0.79 | 13 | empty |
Interfaces
15 interfaces between chains.
- E–F · 975 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 956 Ų buried · 6 hydrogen bonds · protein-protein
- G–H · 893 Ų buried · 102 hydrogen bonds · nucleic-nucleic
- C–D · 885 Ų buried · 99 hydrogen bonds · nucleic-nucleic
- B–E · 527 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4AUW · Crystal structure of the bzip homodimeric mafb in complex with the C- mare binding site · the same entry in another collection · chain H against H, TM-score 1.00
- P54841 · AlphaFold monomer V2.0 prediction for transcription factor mafb (P54841) · a predicted model of the same protein · chain B against A, TM-score 0.89
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 P54841
- Elsewhere: RCSB PDB 4AUW · PDBe 4AUW · UniProt P54841
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