MolNFT v1 · #138612 · protein
Crystal structure of an xre family protein transcriptional regulator from mycobacterium smegmatis
5WOQ · Transcriptional regulator clgr: “Crystal structure of an xre family protein transcriptional regulator from mycobacterium smegmatis”. X-ray diffraction, 3 pockets (best druggability 0.71). MolNFT v1 #138612 on GenesisL1: 3D…
- PDB
- 5WOQ
- Type
- protein
- Length
- 248 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator clgr
- UniProt
- A0QVU1
- Pockets
- 3 · best druggability 0.71
Structure
x-ray diffraction · 3 distinct chains · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator clgr | protein | 80 | 73% helix, 0% strand | A0QVU1 |
| B | Transcriptional regulator clgr | protein | 85 | 74% helix, 0% strand | A0QVU1 |
| C | Transcriptional regulator clgr | protein | 83 | 76% helix, 0% strand | A0QVU1 |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 74 | 0.71 | 0.95 | 23 | empty |
| 2 | 186 | 0.50 | 0.77 | 28 | empty |
| 3 | 108 | 0.43 | 0.78 | 22 | empty |
Interfaces
2 interfaces between chains.
- B–C · 831 Ų buried · 21 hydrogen bonds · protein-protein
- A–B · 490 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 5WOQ · Crystal structure of an XRE family protein transcriptional regulator from Mycobacterium… · the same entry in another collection · chain A against A, TM-score 1.00
- A0QVU1 · AlphaFold monomer V2.0 prediction for transcriptional regulator clgr (A0QVU1) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 A0QVU1
- Elsewhere: RCSB PDB 5WOQ · PDBe 5WOQ · UniProt A0QVU1
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