MolNFT v1 · #96560 · protein
Crystal structures of the first condensation domain of the cda synthetase
4JN5 · Cda peptide synthetase I: “Crystal structures of the first condensation domain of the cda synthetase”. X-ray diffraction, 7 pockets (best druggability 0.85). MolNFT v1 #96560 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4JN5
- Type
- protein
- Length
- 860 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cda peptide synthetase I
- UniProt
- Q9Z4X6
- Pockets
- 7 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cda peptide synthetase I | protein | 435 | 38% helix, 22% strand | Q9Z4X6 |
| B | Cda peptide synthetase I | protein | 425 | 39% helix, 23% strand | Q9Z4X6 |
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 614 | 0.85 | 0.90 | 82 | empty |
| 2 | 493 | 0.82 | 0.89 | 64 | empty |
| 3 | 296 | 0.61 | 0.79 | 47 | empty |
| 4 | 88 | 0.50 | 0.83 | 23 | empty |
| 5 | 64 | 0.36 | 0.78 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 850 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 4JN5 · Crystal structures of the first condensation domain of the CDA synthetase · 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 Q9Z4X6
- Elsewhere: RCSB PDB 4JN5 · PDBe 4JN5 · UniProt Q9Z4X6
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