MolNFT v1 · #71681 · protein
Putative transcriptional regulator from staphylococcus aureus.
3MLF: “Putative transcriptional regulator from staphylococcus aureus.”. X-ray diffraction, 8 pockets (best druggability 0.50). MolNFT v1 #71681 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3MLF
- Type
- protein
- Length
- 458 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator
- UniProt
- A8Z4R3
- Pockets
- 8 · best druggability 0.50
Structure
x-ray diffraction · 4 distinct chains · 63% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator | protein | 95 | 61% helix, 4% strand | A8Z4R3 |
| B, C | Transcriptional regulator | protein | 92 | 61% helix, 4% strand | A8Z4R3 |
| D | Transcriptional regulator | protein | 93 | 61% helix, 4% strand | A8Z4R3 |
| E | Transcriptional regulator | protein | 86 | 67% helix, 6% strand | A8Z4R3 |
Pockets
8 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 67 | 0.50 | 0.85 | 21 | empty |
| 2 | 168 | 0.46 | 0.75 | 19 | empty |
| 3 | 87 | 0.44 | 0.79 | 19 | empty |
| 4 | 59 | 0.42 | 0.82 | 17 | empty |
| 5 | 128 | 0.42 | 0.75 | 20 | empty |
Interfaces
4 interfaces between chains.
- C–D · 1379 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 1306 Ų buried · 9 hydrogen bonds · protein-protein
- C–E · 488 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 241 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 15 modified (engineered).
Compared structures
- 3MLF · Putative transcriptional regulator from Staphylococcus aureus. · 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
- Every structure of UniProt A8Z4R3
- Elsewhere: RCSB PDB 3MLF · PDBe 3MLF · UniProt A8Z4R3
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