MolNFT v1 · #101116 · protein
Crystal structure of the soluble domain of trwg type IV secretion machinery from bartonella grahamii
4NHF · Trwg protein: “Crystal structure of the soluble domain of trwg type IV secretion machinery from bartonella grahamii”. X-ray diffraction, 1 ligand (CA), 14 pockets (best druggability 0.74). MolNFT v1 #101116 on GenesisL1: 3D…
- PDB
- 4NHF
- Type
- protein
- Length
- 851 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trwg protein
- UniProt
- C6AAT5
- Ligands
- CA
- Pockets
- 14 · best druggability 0.74
Structure
x-ray diffraction · 4 distinct chains · 35% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Trwg protein | protein | 144 | 35% helix, 32% strand | C6AAT5 |
| B | Trwg protein | protein | 138 | 36% helix, 33% strand | C6AAT5 |
| C, D, E | Trwg protein | protein | 142 | 34% helix, 32% strand | C6AAT5 |
| F | Trwg protein | protein | 143 | 35% helix, 32% strand | C6AAT5 |
Ligands and binding sites
- CA · Calcium ion · metal · 4 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 672 | 0.74 | 0.80 | 58 | empty |
| 2 | 627 | 0.74 | 0.81 | 52 | empty |
| 3 | 673 | 0.74 | 0.80 | 58 | empty |
| 4 | 487 | 0.64 | 0.76 | 55 | empty |
| 5 | 56 | 0.54 | 0.87 | 12 | empty |
Interfaces
8 interfaces between chains.
- E–F · 774 Ų buried · 1 hydrogen bond · protein-protein
- C–D · 744 Ų buried · 1 hydrogen bond · protein-protein
- A–B · 737 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 633 Ų buried · 11 hydrogen bonds · protein-protein
- B–D · 126 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4NHF · Crystal structure of the soluble domain of TrwG Type IV secretion machinery from… · the same entry in another collection · 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 C6AAT5
- Elsewhere: RCSB PDB 4NHF · PDBe 4NHF · UniProt C6AAT5
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