MolNFT v1 · #50030 · protein
Crystal form BH1
2R6A · Replicative helicase: “Crystal form BH1”. X-ray diffraction, 1 ligand (SO4), 11 pockets (best druggability 0.67). MolNFT v1 #50030 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2R6A
- Type
- protein
- Length
- 935 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Replicative helicase; Dnag primase, helicase binding domain
- EC
- 2.7.7.-
- UniProt
- Q9X4C9, Q9X4D0
- Ligands
- SO4
- Pockets
- 11 · best druggability 0.67
Structure
x-ray diffraction · 3 distinct chains · 55% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Replicative helicase | protein | 420 | 52% helix, 13% strand | Q9X4C9 |
| B | Replicative helicase | protein | 374 | 53% helix, 14% strand | Q9X4C9 |
| C | Dnag primase, helicase binding domain (EC 2.7.7.-) | protein | 141 | 69% helix, 0% strand | Q9X4D0 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 169 | 0.67 | 0.87 | 21 | empty |
| 2 | 476 | 0.60 | 0.74 | 38 | empty |
| 3 | 328 | 0.59 | 0.77 | 44 | empty |
| 4 | 216 | 0.52 | 0.77 | 26 | empty |
| 5 | 238 | 0.47 | 0.73 | 32 | empty |
Interfaces
3 interfaces between chains.
- A–B · 2221 Ų buried · 24 hydrogen bonds · protein-protein
- B–C · 646 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 614 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
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 Q9X4C9
- Every structure of UniProt Q9X4D0
- Elsewhere: RCSB PDB 2R6A · PDBe 2R6A · UniProt Q9X4C9 · UniProt Q9X4D0
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