MolNFT v1 · #49728 · protein
Crystal structure of multiple antibiotic-resistance repressor (marr) (YP_013417.1) from listeria monocytogenes 4B F2365 at 2.07 a resolution
2QWW · Transcriptional regulator, marr family: “Crystal structure of multiple antibiotic-resistance repressor (marr) (YP_013417.1) from listeria…”. X-ray diffraction, 10 pockets (best druggability 0.65). MolNFT v1 #49728 on GenesisL1: 3D…
- PDB
- 2QWW
- Type
- protein
- Length
- 1,132 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator, marr family
- UniProt
- Q722C0
- Pockets
- 10 · best druggability 0.65
Structure
x-ray diffraction · 8 distinct chains · 73% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator, marr family | protein | 146 | 71% helix, 6% strand | Q722C0 |
| B | Transcriptional regulator, marr family | protein | 144 | 72% helix, 6% strand | Q722C0 |
| C | Transcriptional regulator, marr family | protein | 138 | 75% helix, 7% strand | Q722C0 |
| D | Transcriptional regulator, marr family | protein | 139 | 76% helix, 6% strand | Q722C0 |
| E | Transcriptional regulator, marr family | protein | 143 | 72% helix, 6% strand | Q722C0 |
| F | Transcriptional regulator, marr family | protein | 139 | 73% helix, 6% strand | Q722C0 |
| G | Transcriptional regulator, marr family | protein | 140 | 71% helix, 6% strand | Q722C0 |
| H | Transcriptional regulator, marr family | protein | 143 | 73% helix, 6% strand | Q722C0 |
Pockets
10 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 426 | 0.65 | 0.78 | 43 | empty |
| 2 | 746 | 0.65 | 0.74 | 65 | empty |
| 3 | 450 | 0.63 | 0.77 | 48 | empty |
| 4 | 323 | 0.56 | 0.75 | 25 | empty |
| 5 | 295 | 0.55 | 0.76 | 23 | empty |
Interfaces
10 interfaces between chains.
- A–B · 2265 Ų buried · 8 hydrogen bonds · protein-protein
- E–F · 2250 Ų buried · 11 hydrogen bonds · protein-protein
- G–H · 2220 Ų buried · 9 hydrogen bonds · protein-protein
- C–D · 2218 Ų buried · 8 hydrogen bonds · protein-protein
- E–H · 533 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 39 modified (engineered).
Compared structures
- 2QWW · Crystal structure of multiple antibiotic-resistance repressor (MarR) (YP_013417.1) from… · 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 Q722C0
- Elsewhere: RCSB PDB 2QWW · PDBe 2QWW · UniProt Q722C0
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