MolNFT v1 · #49310 · protein
A covalent S-F heterodimer of staphylococcal gamma-hemolysin
2QK7 · Gamma-hemolysin component a: “A covalent S-F heterodimer of staphylococcal gamma-hemolysin”. X-ray diffraction, 3 pockets (best druggability 0.78). MolNFT v1 #49310 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2QK7
- Type
- protein
- Length
- 546 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gamma-hemolysin component a; Gamma-hemolysin component B
- UniProt
- P0A074, P0A077
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 4% helix, 62% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Gamma-hemolysin component a | protein | 259 | 4% helix, 63% strand | P0A074 |
| B | Gamma-hemolysin component B | protein | 287 | 3% helix, 61% strand | P0A077 |
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 829 | 0.78 | 0.82 | 82 | empty |
| 2 | 128 | 0.52 | 0.81 | 20 | empty |
| 3 | 55 | 0.31 | 0.76 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 714 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 2QK7 · A covalent S-F heterodimer of staphylococcal gamma-hemolysin · the same entry in another collection · chain A against A, TM-score 1.00
- P0A074 · AlphaFold monomer V2.0 prediction for gamma-hemolysin component a (P0A074) · a predicted model of the same protein · chain A against A, TM-score 0.99
- P0A077 · AlphaFold monomer V2.0 prediction for gamma-hemolysin component B (P0A077) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 P0A074
- Every structure of UniProt P0A077
- Elsewhere: RCSB PDB 2QK7 · PDBe 2QK7 · UniProt P0A074 · UniProt P0A077
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