MolNFT v1 · #40578 · protein
Structure of the monomeric outer membrane porin ompg in the open and closed conformation
2IWV · Outer membrane protein G: “Structure of the monomeric outer membrane porin ompg in the open and closed conformation”. X-ray diffraction, 2 ligands (TAM, CA), 10 pockets (best druggability 0.77). MolNFT v1 #40578 on GenesisL1: 3D…
- PDB
- 2IWV
- Type
- protein
- Length
- 1,108 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Outer membrane protein G
- UniProt
- P76045
- Ligands
- TAM, CA
- Pockets
- 10 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 1% helix, 70% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Outer membrane protein G | protein | 277 | 1% helix, 70% strand | P76045 |
Ligands and binding sites
- TAM · Tris(hydroxyethyl)aminomethane · ligand · chains B
- CA · Calcium ion · metal · 33 copies · chains A, B, C, D
- LDA · Lauryl dimethylamine-N-oxide · additive · 152 copies · chains A, D, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1007 | 0.77 | 0.79 | 90 | CA, LDA |
| 2 | 1090 | 0.74 | 0.77 | 89 | CA, LDA |
| 3 | 1027 | 0.74 | 0.77 | 72 | LDA |
| 4 | 1062 | 0.74 | 0.77 | 80 | CA, LDA |
| 5 | 1008 | 0.74 | 0.77 | 85 | CA, TAM, LDA |
Interfaces
4 interfaces between chains.
- A–D · 542 Ų buried · 0 hydrogen bonds · protein-protein
- A–B · 459 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 458 Ų buried · 7 hydrogen bonds · protein-protein
- B–D · 270 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 2IWV · 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 0.97
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 2IWV · PDBe 2IWV · UniProt P76045
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