MolNFT v1 · #84631 · protein
Mycobacterium tuberculosis uvra
3ZQJ · Uvrabc system protein a: “Mycobacterium tuberculosis uvra”. X-ray diffraction, 1 ligand (ZN), 20 pockets (best druggability 0.83). MolNFT v1 #84631 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3ZQJ
- Type
- protein
- Length
- 5,199 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uvrabc system protein a
- UniProt
- P63380
- Ligands
- ZN
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 6 distinct chains · 35% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uvrabc system protein a | protein | 944 | 35% helix, 17% strand | P63380 |
| B | Uvrabc system protein a | protein | 918 | 34% helix, 16% strand | P63380 |
| C | Uvrabc system protein a | protein | 890 | 35% helix, 16% strand | P63380 |
| D | Uvrabc system protein a | protein | 921 | 36% helix, 17% strand | P63380 |
| E | Uvrabc system protein a | protein | 919 | 36% helix, 16% strand | P63380 |
| F | Uvrabc system protein a | protein | 607 | 35% helix, 15% strand | P63380 |
Ligands and binding sites
- ZN · Zinc ion · metal · 14 copies · chains A, B, C, D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 958 | 0.83 | 0.84 | 110 | empty |
| 2 | 946 | 0.83 | 0.84 | 123 | empty |
| 3 | 987 | 0.83 | 0.84 | 117 | empty |
| 4 | 865 | 0.82 | 0.84 | 108 | empty |
| 5 | 735 | 0.81 | 0.85 | 85 | empty |
Interfaces
9 interfaces between chains.
- B–D · 3078 Ų buried · 51 hydrogen bonds · protein-protein
- C–E · 3050 Ų buried · 40 hydrogen bonds · protein-protein
- D–F · 609 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 454 Ų buried · 7 hydrogen bonds · protein-protein
- A–D · 447 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 3ZQJ · Mycobacterium tuberculosis UvrA · 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 P63380
- Elsewhere: RCSB PDB 3ZQJ · PDBe 3ZQJ · UniProt P63380
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