MolNFT v1 · #72577 · protein
X-ray crystal structure of the bacterial conjugation factor psib, a negative regulator of reca
3NCT · Protein psib: “X-ray crystal structure of the bacterial conjugation factor psib, a negative regulator of reca”. X-ray diffraction, 3 pockets (best druggability 0.84). MolNFT v1 #72577 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3NCT
- Type
- protein
- Length
- 555 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein psib
- UniProt
- P10031
- Pockets
- 3 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 41% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein psib | protein | 137 | 43% helix, 23% strand | P10031 |
| B, C | Protein psib | protein | 139 | 42% helix, 22% strand | P10031 |
| D | Protein psib | protein | 140 | 39% helix, 22% strand | P10031 |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1040 | 0.84 | 0.85 | 80 | empty |
| 2 | 58 | 0.28 | 0.74 | 21 | empty |
| 3 | 54 | 0.28 | 0.75 | 14 | empty |
Interfaces
5 interfaces between chains.
- B–D · 1028 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 1000 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 400 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 355 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 193 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 3NCT · X-ray crystal structure of the bacterial conjugation factor PsiB, a negative regulator of… · the same entry in another collection · chain B against B, TM-score 1.00
- P10031 · AlphaFold monomer V2.0 prediction for protein psib (P10031) · a predicted model of the same protein · chain A against A, TM-score 1.00
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 P10031
- Elsewhere: RCSB PDB 3NCT · PDBe 3NCT · UniProt P10031
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