MolNFT v1 · #40579 · protein
Structure of the monomeric outer membrane porin ompg in the open and closed conformation
2IWW · Outer membrane protein G: “Structure of the monomeric outer membrane porin ompg in the open and closed conformation”. X-ray diffraction, 1 ligand (BGC), 6 pockets (best druggability 0.73). MolNFT v1 #40579 on GenesisL1: 3D…
- 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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