MolNFT v1 · #137988 · protein
Crystal structure of mycobacterium tuberculosis crp-fnr family transcription factor cmr (RV1675C)
5W5A · Hth-type transcriptional regulator cmr: “Crystal structure of mycobacterium tuberculosis crp-fnr family transcription factor cmr (RV1675C)”. X-ray diffraction, 2 ligands (SO4, CL), 7 pockets (best druggability 0.59). MolNFT v1…
- PDB
- 5W5A
- Type
- protein
- Length
- 451 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hth-type transcriptional regulator cmr
- UniProt
- P9WMH4
- Ligands
- SO4, CL
- Pockets
- 7 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hth-type transcriptional regulator cmr | protein | 225 | 44% helix, 24% strand | P9WMH4 |
| B | Hth-type transcriptional regulator cmr | protein | 226 | 45% helix, 23% strand | P9WMH4 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 113 | 0.59 | 0.85 | 21 | empty |
| 2 | 117 | 0.57 | 0.84 | 24 | empty |
| 3 | 193 | 0.54 | 0.79 | 24 | empty |
| 4 | 207 | 0.51 | 0.77 | 25 | empty |
| 5 | 141 | 0.48 | 0.78 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1385 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 5W5A · Crystal structure of Mycobacterium tuberculosis CRP-FNR family transcription factor Cmr… · the same entry in another collection · chain A against A, TM-score 1.00
- P9WMH4 · AlphaFold monomer V2.0 prediction for hth-type transcriptional regulator cmr (P9WMH4) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P9WMH4
- Elsewhere: RCSB PDB 5W5A · PDBe 5W5A · UniProt P9WMH4
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