MolNFT v1 · #100476 · protein
Crystal structure of a putative CPAE2 pilus assembly protein (CPAE2) from sinorhizobium meliloti 1021 at 2.72 a resolution (psi community target, shapiro)
4MYR: “Crystal structure of a putative CPAE2 pilus assembly protein (CPAE2) from sinorhizobium meliloti 1021 at 2.72…”. X-ray diffraction, 8 pockets (best druggability 0.49). MolNFT v1 #100476 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4MYR
- Type
- protein
- Length
- 496 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CPAE2 pilus assembly protein
- UniProt
- Q92YL8
- Pockets
- 8 · best druggability 0.49
Structure
x-ray diffraction · 4 distinct chains · 44% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CPAE2 pilus assembly protein | protein | 123 | 46% helix, 24% strand | Q92YL8 |
| B | CPAE2 pilus assembly protein | protein | 125 | 44% helix, 23% strand | Q92YL8 |
| C | CPAE2 pilus assembly protein | protein | 126 | 42% helix, 23% strand | Q92YL8 |
| D | CPAE2 pilus assembly protein | protein | 122 | 45% helix, 22% strand | Q92YL8 |
Pockets
8 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 174 | 0.49 | 0.77 | 28 | empty |
| 2 | 97 | 0.35 | 0.74 | 20 | empty |
| 3 | 57 | 0.34 | 0.78 | 14 | empty |
| 4 | 55 | 0.33 | 0.77 | 15 | empty |
| 5 | 65 | 0.32 | 0.75 | 13 | empty |
Interfaces
3 interfaces between chains.
- B–D · 545 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 541 Ų buried · 15 hydrogen bonds · protein-protein
- C–D · 218 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 modified (engineered).
Compared structures
- 4MYR · Crystal structure of a putative CpaE2 pilus assembly protein (CpaE2) from Sinorhizobium… · 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 Q92YL8
- Elsewhere: RCSB PDB 4MYR · PDBe 4MYR · UniProt Q92YL8
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