MolNFT v1 · #50015 · protein
Crystal structure of the N-terminal domain of dnab helicase from mycobacterium tuberculosis
2R5U · Replicative DNA helicase: “Crystal structure of the N-terminal domain of dnab helicase from mycobacterium tuberculosis”. X-ray diffraction, 2 pockets (best druggability 0.47). MolNFT v1 #50015 on GenesisL1: 3D structure, binding…
- PDB
- 2R5U
- Type
- protein
- Length
- 847 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Replicative DNA helicase
- EC
- 3.6.1.-
- UniProt
- P71715
- Pockets
- 2 · best druggability 0.47
Structure
x-ray diffraction · 6 distinct chains · 73% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Replicative DNA helicase (EC 3.6.1.-) | protein | 144 | 72% helix, 0% strand | P71715 |
| B | Replicative DNA helicase (EC 3.6.1.-) | protein | 145 | 72% helix, 0% strand | P71715 |
| C | Replicative DNA helicase (EC 3.6.1.-) | protein | 138 | 73% helix, 0% strand | P71715 |
| D | Replicative DNA helicase (EC 3.6.1.-) | protein | 139 | 75% helix, 0% strand | P71715 |
| E | Replicative DNA helicase (EC 3.6.1.-) | protein | 141 | 72% helix, 0% strand | P71715 |
| F | Replicative DNA helicase (EC 3.6.1.-) | protein | 140 | 75% helix, 0% strand | P71715 |
Ligands and binding sites
- GOL · Glycerol · additive · chains E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 139 | 0.47 | 0.78 | 28 | empty |
| 2 | 83 | 0.39 | 0.78 | 25 | empty |
Interfaces
9 interfaces between chains.
- A–F · 1025 Ų buried · 2 hydrogen bonds · protein-protein
- D–E · 1018 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 1011 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 430 Ų buried · 3 hydrogen bonds · protein-protein
- E–F · 426 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 2R5U · Crystal structure of the N-terminal domain of DnaB helicase from Mycobacterium… · the same entry in another collection · chain B against B, 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 P71715
- Elsewhere: RCSB PDB 2R5U · PDBe 2R5U · UniProt P71715
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