MolNFT v1 · #180320 · protein
Non-ribosomal didomain (holo-pcp-C) acceptor bound state
7KVW · Pcp-C didomain: “Non-ribosomal didomain (holo-pcp-C) acceptor bound state”. X-ray diffraction, 1 ligand (PNS), 13 pockets (best druggability 0.85). MolNFT v1 #180320 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7KVW
- Type
- protein
- Length
- 1,028 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pcp-C didomain
- UniProt
- Q47NR9
- Ligands
- PNS
- Pockets
- 13 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pcp-C didomain | protein | 513 | 40% helix, 19% strand | Q47NR9 |
| B | Pcp-C didomain | protein | 515 | 40% helix, 18% strand | Q47NR9 |
Ligands and binding sites
- PNS · 4'-phosphopantetheine · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 914 | 0.85 | 0.87 | 109 | empty |
| 2 | 678 | 0.83 | 0.87 | 85 | empty |
| 3 | 289 | 0.70 | 0.84 | 48 | empty |
| 4 | 183 | 0.69 | 0.87 | 31 | empty |
| 5 | 184 | 0.67 | 0.86 | 34 | empty |
Interfaces
1 interface between chains.
- A–B · 458 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 cofactor (phosphopantetheinylation).
Compared structures
- 7KVW · Non-ribosomal didomain (holo-PCP-C) acceptor bound state · 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 Q47NR9
- Elsewhere: RCSB PDB 7KVW · PDBe 7KVW · UniProt Q47NR9
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