Research workbench
Crystal structure of mycobacterium tuberculosis espr in complex with a small DNA fragment
Analyse Crystal structure of mycobacterium tuberculosis espr in complex with a small… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3QYX
- Type
- protein + DNA
- Length
- 525 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Esx-1 secretion-associated regulator espr; 5'-D(*A*CP*GP*CP*CP*GP*AP*AP*TP*C)-3'
- UniProt
- P96228
- Pockets
- 4 · best druggability 0.77
Structure
x-ray diffraction · 3 distinct chains · 66% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Esx-1 secretion-associated regulator espr | protein | 131 | 66% helix, 1% strand | P96228 |
| D, C | Esx-1 secretion-associated regulator espr | protein | 129 | 66% helix, 0% strand | P96228 |
| E | 5'-D(*A*CP*GP*CP*CP*GP*AP*AP*TP*C)-3' | dna | 5 | — | — |
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 262 | 0.77 | 0.89 | 32 | empty |
| 2 | 251 | 0.74 | 0.88 | 34 | empty |
| 3 | 338 | 0.56 | 0.75 | 49 | empty |
| 4 | 271 | 0.54 | 0.76 | 41 | empty |
Interfaces
5 interfaces between chains.
- B–C · 2289 Ų buried · 16 hydrogen bonds · protein-protein
- A–D · 2276 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 448 Ų buried · 8 hydrogen bonds · protein-protein
- B–E · 312 Ų buried · 8 hydrogen bonds · protein-nucleic
- A–E · 259 Ų buried · 5 hydrogen bonds · protein-nucleic
Compared structures
- 3QYX · Crystal structure of Mycobacterium tuberculosis EspR in complex with a small DNA fragment · 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 P96228
- Elsewhere: RCSB PDB 3QYX · PDBe 3QYX · UniProt P96228
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