MolNFT v1 · #62135 · protein
The crystal structure of a marr family transcriptional regulator from silicibacter pomeroyi dss.
3E6M: “The crystal structure of a marr family transcriptional regulator from silicibacter pomeroyi dss.”. X-ray diffraction, 20 pockets (best druggability 0.76). MolNFT v1 #62135 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3E6M
- Type
- protein
- Length
- 1,176 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Marr family transcriptional regulator
- UniProt
- Q5LLB9
- Pockets
- 20 · best druggability 0.76
Structure
x-ray diffraction · 7 distinct chains · 66% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Marr family transcriptional regulator | protein | 146 | 68% helix, 7% strand | Q5LLB9 |
| B, H | Marr family transcriptional regulator | protein | 147 | 69% helix, 6% strand | Q5LLB9 |
| C | Marr family transcriptional regulator | protein | 146 | 66% helix, 10% strand | Q5LLB9 |
| D | Marr family transcriptional regulator | protein | 149 | 66% helix, 8% strand | Q5LLB9 |
| E | Marr family transcriptional regulator | protein | 147 | 65% helix, 7% strand | Q5LLB9 |
| F | Marr family transcriptional regulator | protein | 146 | 62% helix, 5% strand | Q5LLB9 |
| G | Marr family transcriptional regulator | protein | 148 | 66% helix, 7% strand | Q5LLB9 |
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 90 | 0.76 | 0.97 | 22 | empty |
| 2 | 79 | 0.76 | 0.98 | 17 | empty |
| 3 | 81 | 0.76 | 0.98 | 19 | empty |
| 4 | 79 | 0.75 | 0.97 | 17 | empty |
| 5 | 139 | 0.74 | 0.92 | 29 | empty |
Interfaces
14 interfaces between chains.
- C–D · 2969 Ų buried · 28 hydrogen bonds · protein-protein
- G–H · 2965 Ų buried · 21 hydrogen bonds · protein-protein
- E–F · 2915 Ų buried · 21 hydrogen bonds · protein-protein
- A–B · 2899 Ų buried · 25 hydrogen bonds · protein-protein
- F–G · 470 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 3E6M · The crystal structure of a MarR family transcriptional regulator from Silicibacter… · 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 Q5LLB9
- Elsewhere: RCSB PDB 3E6M · PDBe 3E6M · UniProt Q5LLB9
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