MolNFT v1 · #100546 · protein
Crystal structure of a pilus assembly protein cpae (CC_2943) from caulobacter crescentus CB15 at 1.75 a resolution (psi community target, shapiro)
4N0P: “Crystal structure of a pilus assembly protein cpae (CC_2943) from caulobacter crescentus CB15 at 1.75 a…”. X-ray diffraction, 14 pockets (best druggability 0.75). MolNFT v1 #100546 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4N0P
- Type
- protein
- Length
- 1,043 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pilus assembly protein cpae
- UniProt
- Q9A495
- Pockets
- 14 · best druggability 0.75
Structure
x-ray diffraction · 7 distinct chains · 42% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, F | Pilus assembly protein cpae | protein | 134 | 41% helix, 18% strand | Q9A495 |
| B | Pilus assembly protein cpae | protein | 131 | 44% helix, 22% strand | Q9A495 |
| C | Pilus assembly protein cpae | protein | 133 | 41% helix, 18% strand | Q9A495 |
| D | Pilus assembly protein cpae | protein | 132 | 43% helix, 22% strand | Q9A495 |
| E | Pilus assembly protein cpae | protein | 123 | 44% helix, 24% strand | Q9A495 |
| G | Pilus assembly protein cpae | protein | 132 | 41% helix, 19% strand | Q9A495 |
| H | Pilus assembly protein cpae | protein | 124 | 44% helix, 22% strand | Q9A495 |
Pockets
14 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 972 | 0.75 | 0.78 | 99 | empty |
| 2 | 292 | 0.62 | 0.80 | 30 | empty |
| 3 | 166 | 0.49 | 0.78 | 32 | empty |
| 4 | 145 | 0.48 | 0.78 | 22 | empty |
| 5 | 121 | 0.46 | 0.79 | 22 | empty |
Interfaces
14 interfaces between chains.
- D–H · 765 Ų buried · 11 hydrogen bonds · protein-protein
- D–G · 734 Ų buried · 14 hydrogen bonds · protein-protein
- B–C · 696 Ų buried · 11 hydrogen bonds · protein-protein
- C–D · 626 Ų buried · 14 hydrogen bonds · protein-protein
- B–G · 603 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 4N0P · Crystal structure of a pilus assembly protein CpaE (CC_2943) from Caulobacter crescentus… · 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 Q9A495
- Elsewhere: RCSB PDB 4N0P · PDBe 4N0P · UniProt Q9A495
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