MolNFT v1 · #38236 · protein
Hia 1022-1098
2GR8 · Adhesin: “Hia 1022-1098”. X-ray diffraction, 4 pockets (best druggability 0.49). MolNFT v1 #38236 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2GR8
- Type
- protein
- Length
- 468 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adhesin
- UniProt
- Q48152
- Pockets
- 4 · best druggability 0.49
Structure
x-ray diffraction · 1 distinct chain · 17% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Adhesin | protein | 78 | 17% helix, 51% strand | Q48152 |
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 107 | 0.49 | 0.81 | 19 | empty |
| 2 | 211 | 0.47 | 0.74 | 32 | empty |
| 3 | 56 | 0.28 | 0.74 | 16 | empty |
| 4 | 50 | 0.27 | 0.74 | 14 | empty |
Interfaces
10 interfaces between chains.
- B–E · 1146 Ų buried · 26 hydrogen bonds · protein-protein
- A–D · 1116 Ų buried · 23 hydrogen bonds · protein-protein
- C–D · 1115 Ų buried · 22 hydrogen bonds · protein-protein
- A–C · 1110 Ų buried · 21 hydrogen bonds · protein-protein
- E–F · 1094 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 2GR8 · Hia 1022-1098 · the same entry in another collection · chain C against C, 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 Q48152
- Elsewhere: RCSB PDB 2GR8 · PDBe 2GR8 · UniProt Q48152
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