MolNFT v1 · #121342 · protein + DNA
Crystal structure of mycobacterium tuberculosis marr family protein RV2887 complex with DNA
5HSO · Uncharacterized hth-type transcriptional regulator RV2887: “Crystal structure of mycobacterium tuberculosis marr family protein RV2887 complex with DNA”. X-ray diffraction, 6 pockets (best druggability 0.70). MolNFT v1 #121342 on…
- PDB
- 5HSO
- Type
- protein + DNA
- Length
- 551 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized hth-type transcriptional regulator RV2887; DNA (30-mer), the upstream…
- UniProt
- P9WME9
- Pockets
- 6 · best druggability 0.70
Structure
x-ray diffraction · 4 distinct chains · 74% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D | Uncharacterized hth-type transcriptional regulator RV2887 | protein | 122 | 75% helix, 2% strand | P9WME9 |
| C | Uncharacterized hth-type transcriptional regulator RV2887 | protein | 125 | 74% helix, 3% strand | P9WME9 |
| E | DNA (30-mer), the upstream sequence of RV0560C | dna | 30 | — | — |
| F | DNA (30-mer), the upstream sequence of RV0560C | dna | 30 | — | — |
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 596 | 0.70 | 0.78 | 68 | empty |
| 2 | 593 | 0.70 | 0.78 | 64 | empty |
| 3 | 167 | 0.44 | 0.75 | 17 | empty |
| 4 | 168 | 0.44 | 0.75 | 18 | empty |
| 5 | 147 | 0.39 | 0.73 | 16 | empty |
Interfaces
11 interfaces between chains.
- A–B · 2006 Ų buried · 20 hydrogen bonds · protein-protein
- C–D · 1968 Ų buried · 20 hydrogen bonds · protein-protein
- E–F · 1391 Ų buried · 154 hydrogen bonds · nucleic-nucleic
- C–E · 161 Ų buried · 2 hydrogen bonds · protein-nucleic
- D–F · 121 Ų buried · 1 hydrogen bond · protein-nucleic
Compared structures
- 5HSO · Crystal structure of MYCOBACTERIUM TUBERCULOSIS MARR FAMILY PROTEIN Rv2887 complex with… · the same entry in another collection · chain F against F, TM-score 1.00
- P9WME9 · AlphaFold monomer V2.0 prediction for hth-type transcriptional repressor RV2887 (P9WME9) · a predicted model of the same protein · chain C against A, TM-score 0.91
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 P9WME9
- Elsewhere: RCSB PDB 5HSO · PDBe 5HSO · UniProt P9WME9
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