MolNFT v1 · #147775 · protein
Ompf orthologue from enterobacter cloacae (OMPE35)
6ENE · Outer membrane protein (porin): “Ompf orthologue from enterobacter cloacae (OMPE35)”. X-ray diffraction, 1 ligand (SO4), 11 pockets (best druggability 0.70). MolNFT v1 #147775 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6ENE
- Type
- protein
- Length
- 987 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Outer membrane protein (porin)
- UniProt
- A0A0M7H8A9
- Ligands
- SO4
- Pockets
- 11 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 5% helix, 62% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Outer membrane protein (porin) | protein | 329 | 5% helix, 62% strand | A0A0M7H8A9 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 7 copies · chains A, C, B
- C8E · (hydroxyethyloxy)tri(ethyloxy)octane · additive · 6 copies · chains A, C, B
- BOG · octyl beta-D-glucopyranoside · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 991 | 0.70 | 0.75 | 82 | SO4 |
| 2 | 969 | 0.70 | 0.75 | 74 | SO4 |
| 3 | 1116 | 0.69 | 0.74 | 88 | SO4 |
| 4 | 253 | 0.49 | 0.74 | 45 | empty |
| 5 | 246 | 0.48 | 0.74 | 43 | C8E |
Interfaces
3 interfaces between chains.
- B–C · 1511 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 1509 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 1490 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 6ENE · OmpF orthologue from Enterobacter cloacae (OmpE35) · 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 A0A0M7H8A9
- Elsewhere: RCSB PDB 6ENE · PDBe 6ENE · UniProt A0A0M7H8A9
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