MolNFT v1 · #93210 · protein
Crystal structure of the response regulator protein vrar from staphylococcus aureus
4GVP: “Crystal structure of the response regulator protein vrar from staphylococcus aureus”. X-ray diffraction, 8 pockets (best druggability 0.71). MolNFT v1 #93210 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4GVP
- Type
- protein
- Length
- 832 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Response regulator protein vrar
- UniProt
- Q7A2Q1
- Pockets
- 8 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 57% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Response regulator protein vrar | protein | 208 | 57% helix, 15% strand | Q7A2Q1 |
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1083 | 0.71 | 0.75 | 91 | empty |
| 2 | 936 | 0.69 | 0.74 | 89 | empty |
| 3 | 100 | 0.40 | 0.77 | 22 | empty |
| 4 | 114 | 0.40 | 0.75 | 23 | empty |
| 5 | 82 | 0.39 | 0.78 | 22 | empty |
Interfaces
3 interfaces between chains.
- A–C · 400 Ų buried · 7 hydrogen bonds · protein-protein
- B–D · 363 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 301 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4GVP · Crystal Structure of the Response Regulator Protein VraR from Staphylococcus aureus · the same entry in another collection · chain A against A, TM-score 1.00
- Q7A2Q1 · AlphaFold monomer V2.0 prediction for response regulator protein vrar (Q7A2Q1) · a predicted model of the same protein · chain A against A, TM-score 0.64
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 Q7A2Q1
- Elsewhere: RCSB PDB 4GVP · PDBe 4GVP · UniProt Q7A2Q1
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