MolNFT v1 · #145476 · protein
Contact-dependent growth inhibition toxin - immunity protein complex from klebsiella pneumoniae 342
6CP9 · Cdia: “Contact-dependent growth inhibition toxin - immunity protein complex from klebsiella pneumoniae 342”. X-ray diffraction, 16 pockets (best druggability 0.74). MolNFT v1 #145476 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6CP9
- Type
- protein
- Length
- 924 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cdia; Cdii
- UniProt
- B5Y0C2
- Pockets
- 16 · best druggability 0.74
Structure
x-ray diffraction · 7 distinct chains · 21% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cdia | protein | 118 | 34% helix, 31% strand | B5Y0C2 |
| B | Cdii | protein | 115 | 7% helix, 57% strand | — |
| C | Cdia | protein | 117 | 27% helix, 32% strand | B5Y0C2 |
| D, F | Cdii | protein | 116 | 9% helix, 58% strand | — |
| E | Cdia | protein | 119 | 32% helix, 31% strand | B5Y0C2 |
| G | Cdia | protein | 109 | 29% helix, 35% strand | B5Y0C2 |
| H | Cdii | protein | 114 | 10% helix, 56% strand | — |
Pockets
16 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 68 | 0.74 | 0.99 | 27 | empty |
| 2 | 53 | 0.70 | 0.98 | 20 | empty |
| 3 | 511 | 0.65 | 0.77 | 60 | empty |
| 4 | 299 | 0.59 | 0.78 | 42 | empty |
| 5 | 352 | 0.59 | 0.76 | 42 | empty |
Interfaces
13 interfaces between chains.
- B–D · 1240 Ų buried · 25 hydrogen bonds · protein-protein
- F–H · 1190 Ų buried · 20 hydrogen bonds · protein-protein
- G–H · 996 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 992 Ų buried · 20 hydrogen bonds · protein-protein
- E–F · 990 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 6CP9 · Contact-dependent growth inhibition toxin - immunity protein complex from Klebsiella… · 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 B5Y0C2
- Elsewhere: RCSB PDB 6CP9 · PDBe 6CP9 · UniProt B5Y0C2
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