MolNFT v1 · #59234 · protein
NEMO/IKKB association domain structure
3BRV · Inhibitor of nuclear factor kappa-B kinase subunit beta: “NEMO/IKKB association domain structure”. X-ray diffraction, 1 pocket (best druggability 0.69). MolNFT v1 #59234 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3BRV
- Type
- protein
- Length
- 204 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inhibitor of nuclear factor kappa-B kinase subunit beta; Nf-kappa-B essential modulator
- EC
- 2.7.11.10
- UniProt
- O14920, Q9Y6K9
- Pockets
- 1 · best druggability 0.69
Structure
x-ray diffraction · 4 distinct chains · 89% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inhibitor of nuclear factor kappa-B kinase subunit beta (EC 2.7.11.10) | protein | 39 | 77% helix, 0% strand | O14920 |
| B | Nf-kappa-B essential modulator | protein | 61 | 97% helix, 0% strand | Q9Y6K9 |
| C | Inhibitor of nuclear factor kappa-B kinase subunit beta (EC 2.7.11.10) | protein | 42 | 79% helix, 0% strand | O14920 |
| D | Nf-kappa-B essential modulator | protein | 62 | 95% helix, 0% strand | Q9Y6K9 |
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 99 | 0.69 | 0.92 | 18 | empty |
Interfaces
6 interfaces between chains.
- B–C · 978 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 954 Ų buried · 7 hydrogen bonds · protein-protein
- B–D · 930 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 922 Ų buried · 9 hydrogen bonds · protein-protein
- C–D · 892 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 3BRV · NEMO/IKKb association domain structure · the same entry in another collection · chain B against B, TM-score 1.00
- Q9Y6K9 · AlphaFold monomer V2.0 prediction for nf-kappa-B essential modulator (Q9Y6K9) · a predicted model of the same protein · chain B against A, TM-score 0.91
- O14920 · AlphaFold monomer V2.0 prediction for inhibitor of nuclear factor kappa-B kinase subunit… · a predicted model of the same protein · chain A against A, TM-score 0.78
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 O14920
- Every structure of UniProt Q9Y6K9
- Elsewhere: RCSB PDB 3BRV · PDBe 3BRV · UniProt O14920 · UniProt Q9Y6K9
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