MolNFT v1 · #100824 · protein
E. COLI sliding clamp in complex with 5-chloroindoline-2,3-dione
4N95 · DNA polymerase III subunit beta: “E. COLI sliding clamp in complex with 5-chloroindoline-2,3-dione”. X-ray diffraction, 3 ligands (2HQ, CA, CL), 5 pockets (best druggability 0.29). MolNFT v1 #100824 on GenesisL1: 3D structure…
- PDB
- 4N95
- Type
- protein
- Length
- 721 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA polymerase III subunit beta
- EC
- 2.7.7.7
- UniProt
- P0A988
- Ligands
- 2HQ, CA, CL
- Pockets
- 5 · best druggability 0.29
Structure
x-ray diffraction · 2 distinct chains · 22% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | DNA polymerase III subunit beta (EC 2.7.7.7) | protein | 362 | 22% helix, 45% strand | P0A988 |
| A | DNA polymerase III subunit beta (EC 2.7.7.7) | protein | 359 | 23% helix, 48% strand | P0A988 |
Ligands and binding sites
- 2HQ · 5-chloro-1H-indole-2,3-dione · ligand · chains A
- CA · Calcium ion · metal · 4 copies · chains A
- CL · Chloride ion · ion · chains A
- PEG · Di(hydroxyethyl)ether · additive · 5 copies · chains B, A
- PG4 · Tetraethylene glycol · additive · 2 copies · chains B
- PGE · Triethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 50 | 0.29 | 0.76 | 17 | empty |
| 2 | 55 | 0.29 | 0.75 | 15 | empty |
| 3 | 59 | 0.29 | 0.74 | 17 | empty |
| 4 | 52 | 0.27 | 0.74 | 14 | empty |
| 5 | 57 | 0.27 | 0.73 | 17 | empty |
Interfaces
1 interface between chains.
- B–A · 1297 Ų buried · 29 hydrogen bonds · protein-protein
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 P0A988
- Elsewhere: RCSB PDB 4N95 · PDBe 4N95 · UniProt P0A988
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