Research workbench
Crystal structure of the OMPK36 D insertion chimera from klebsiella pneumonia
Analyse Crystal structure of the OMPK36 D insertion chimera from klebsiella pneumonia in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7Q3T
- Type
- protein
- Length
- 2,076 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- OMPK36
- UniProt
- D6QLY0
- Ligands
- LI
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 60% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | OMPK36 | protein | 346 | 7% helix, 60% strand | D6QLY0 |
Ligands and binding sites
- LI · Lithium ion · metal · 12 copies · chains A, B, C, D, E, F
- C8E · (hydroxyethyloxy)tri(ethyloxy)octane · additive · 47 copies · chains A, C, B, E, D, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 214 | 0.84 | 0.96 | 29 | empty |
| 2 | 189 | 0.83 | 0.96 | 29 | empty |
| 3 | 1002 | 0.81 | 0.83 | 79 | empty |
| 4 | 1033 | 0.81 | 0.82 | 85 | empty |
| 5 | 1081 | 0.81 | 0.82 | 84 | empty |
Interfaces
7 interfaces between chains.
- A–C · 1705 Ų buried · 32 hydrogen bonds · protein-protein
- D–F · 1684 Ų buried · 33 hydrogen bonds · protein-protein
- D–E · 1670 Ų buried · 31 hydrogen bonds · protein-protein
- E–F · 1664 Ų buried · 34 hydrogen bonds · protein-protein
- A–B · 1655 Ų buried · 35 hydrogen bonds · protein-protein
Compared structures
- 7Q3T · Crystal structure of the OmpK36 D insertion chimera from Klebsiella pneumonia · the same entry in another collection · chain F against F, 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 D6QLY0
- Elsewhere: RCSB PDB 7Q3T · PDBe 7Q3T · UniProt D6QLY0
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