MolNFT v1 · #103771 · protein
N-terminal domain of DNA binding protein
4PQL · Truncated replication protein repa: “N-terminal domain of DNA binding protein”. X-ray diffraction, 2 pockets (best druggability 0.56). MolNFT v1 #103771 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4PQL
- Type
- protein
- Length
- 261 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Truncated replication protein repa
- UniProt
- B1B3N7
- Pockets
- 2 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Truncated replication protein repa | protein | 131 | 49% helix, 12% strand | B1B3N7 |
| B | Truncated replication protein repa | protein | 130 | 49% helix, 12% strand | B1B3N7 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 15 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 233 | 0.56 | 0.78 | 25 | empty |
| 2 | 259 | 0.55 | 0.76 | 30 | EDO |
Interfaces
1 interface between chains.
- A–B · 2183 Ų buried · 36 hydrogen bonds · protein-protein
Compared structures
- 4PQL · N-Terminal domain of DNA binding protein · 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 B1B3N7
- Elsewhere: RCSB PDB 4PQL · PDBe 4PQL · UniProt B1B3N7
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