MolNFT v1 · #148025 · protein
Crystal structure of the outer membrane channel dcap of acinetobacter baumannii
6EUS · Dcap-like protein: “Crystal structure of the outer membrane channel dcap of acinetobacter baumannii”. X-ray diffraction, 16 pockets (best druggability 0.88). MolNFT v1 #148025 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6EUS
- Type
- protein
- Length
- 2,076 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dcap-like protein
- UniProt
- A0A0B9X9I7
- Pockets
- 16 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 1% helix, 61% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Dcap-like protein | protein | 346 | 1% helix, 61% strand | A0A0B9X9I7 |
Pockets
16 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 301 | 0.88 | 0.98 | 29 | empty |
| 2 | 300 | 0.87 | 0.97 | 30 | empty |
| 3 | 872 | 0.75 | 0.79 | 107 | empty |
| 4 | 1041 | 0.74 | 0.77 | 94 | empty |
| 5 | 1070 | 0.71 | 0.76 | 105 | empty |
Interfaces
7 interfaces between chains.
- D–E · 1625 Ų buried · 16 hydrogen bonds · protein-protein
- D–F · 1611 Ų buried · 16 hydrogen bonds · protein-protein
- B–C · 1605 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 1587 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 1575 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 24 modified (engineered).
Compared structures
- 6EUS · Crystal structure of the outer membrane channel DcaP of Acinetobacter baumannii · the same entry in another collection · chain B against B, 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 A0A0B9X9I7
- Elsewhere: RCSB PDB 6EUS · PDBe 6EUS · UniProt A0A0B9X9I7
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