MolNFT v1 · #62417 · protein
The crystal structure of ospa mutant
3EEX · Outer surface protein a: “The crystal structure of ospa mutant”. X-ray diffraction, 5 pockets (best druggability 0.81). MolNFT v1 #62417 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3EEX
- Type
- protein
- Length
- 632 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Outer surface protein a
- Pockets
- 5 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 3% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Outer surface protein a | protein | 316 | 3% helix, 53% strand | — |
Ligands and binding sites
- P6G · Hexaethylene glycol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 664 | 0.81 | 0.86 | 87 | P6G |
| 2 | 510 | 0.78 | 0.85 | 78 | P6G |
| 3 | 153 | 0.44 | 0.75 | 34 | P6G |
| 4 | 139 | 0.43 | 0.76 | 30 | empty |
| 5 | 57 | 0.36 | 0.79 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1395 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 3EEX · The crystal structure of OspA mutant · 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
- Elsewhere: RCSB PDB 3EEX · PDBe 3EEX
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