Research workbench
Structure of the monomeric outer membrane porin ompg in the open and closed conformation
Analyse Structure of the monomeric outer membrane porin ompg in the open and closed… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2IWW
- Type
- protein
- Length
- 554 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Outer membrane protein G
- UniProt
- P76045
- Ligands
- BGC
- Pockets
- 6 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 1% helix, 66% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Outer membrane protein G | protein | 277 | 1% helix, 66% strand | P76045 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 4 copies · chains A, B
- BOG · octyl beta-D-glucopyranoside · additive · 12 copies · chains A, B
- LDA · Lauryl dimethylamine-N-oxide · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 988 | 0.73 | 0.76 | 72 | BGC, BOG |
| 2 | 611 | 0.72 | 0.80 | 63 | empty |
| 3 | 950 | 0.72 | 0.77 | 86 | BGC |
| 4 | 492 | 0.67 | 0.78 | 56 | empty |
| 5 | 112 | 0.41 | 0.76 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 462 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 2IWW · Structure of the monomeric outer membrane porin OmpG in the open and closed conformation · the same entry in another collection · chain A against A, TM-score 1.00
- P76045 · AlphaFold monomer V2.0 prediction for outer membrane porin G (P76045) · a predicted model of the same protein · chain A against A, TM-score 0.92
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 P76045
- Elsewhere: RCSB PDB 2IWW · PDBe 2IWW · UniProt P76045
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