MolNFT v1 · #153601 · protein
Crystal structure of the degp dodecamer with a modulator
6JJL · Periplasmic serine endoprotease degp: “Crystal structure of the degp dodecamer with a modulator”. X-ray diffraction, 20 pockets (best druggability 0.83). MolNFT v1 #153601 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6JJL
- Type
- protein
- Length
- 2,370 residues
- Chains
- 18
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Periplasmic serine endoprotease degp; Cys-tyr-arg-lys-leu
- EC
- 3.4.21.107
- UniProt
- P0C0V0
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 7 distinct chains · 16% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Periplasmic serine endoprotease degp (EC 3.4.21.107) | protein | 381 | 17% helix, 35% strand | P0C0V0 |
| B | Periplasmic serine endoprotease degp (EC 3.4.21.107) | protein | 392 | 17% helix, 35% strand | P0C0V0 |
| C | Periplasmic serine endoprotease degp (EC 3.4.21.107) | protein | 382 | 15% helix, 32% strand | P0C0V0 |
| D | Periplasmic serine endoprotease degp (EC 3.4.21.107) | protein | 388 | 15% helix, 31% strand | P0C0V0 |
| E | Periplasmic serine endoprotease degp (EC 3.4.21.107) | protein | 388 | 16% helix, 32% strand | P0C0V0 |
| F | Periplasmic serine endoprotease degp (EC 3.4.21.107) | protein | 379 | 17% helix, 35% strand | P0C0V0 |
| G, M, H, N, I, Q, J, O, K, R, L, P | Cys-tyr-arg-lys-leu | protein | 5 | 0% helix, 20% strand | — |
Pockets
20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 282 | 0.83 | 0.94 | 33 | empty |
| 2 | 417 | 0.77 | 0.86 | 53 | empty |
| 3 | 287 | 0.77 | 0.89 | 43 | empty |
| 4 | 445 | 0.77 | 0.85 | 53 | empty |
| 5 | 273 | 0.73 | 0.86 | 49 | empty |
Interfaces
20 interfaces between chains.
- D–E · 1169 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 1159 Ų buried · 14 hydrogen bonds · protein-protein
- D–F · 1149 Ų buried · 19 hydrogen bonds · protein-protein
- B–C · 1128 Ų buried · 21 hydrogen bonds · protein-protein
- E–F · 1117 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 6JJL · Crystal structure of the DegP dodecamer with a modulator · the same entry in another collection · chain P against P, 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 P0C0V0
- Elsewhere: RCSB PDB 6JJL · PDBe 6JJL · UniProt P0C0V0
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