MolNFT v1 · #146506 · protein
Structure of DNA polymerase III subunit beta from rickettsia typhi in complex with a natural product
6DJK · Beta sliding clamp: “Structure of DNA polymerase III subunit beta from rickettsia typhi in complex with a natural product”. X-ray diffraction, 1 ligand (ACE), 2 pockets (best druggability 0.38). MolNFT v1 #146506 on GenesisL1: 3D…
- PDB
- 6DJK
- Type
- protein
- Length
- 386 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta sliding clamp; ACE-mva-MP8-nzc-leu-MP8-leu-mva-pro-mlu-gly
- UniProt
- Q68WW0
- Ligands
- ACE
- Pockets
- 2 · best druggability 0.38
Structure
x-ray diffraction · 2 distinct chains · 23% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta sliding clamp | protein | 376 | 23% helix, 44% strand | Q68WW0 |
| B | ACE-mva-MP8-nzc-leu-MP8-leu-mva-pro-mlu-gly | protein | 10 | 0% helix, 0% strand | — |
Ligands and binding sites
- ACE · Acetyl group · ligand · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
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 | 76 | 0.38 | 0.78 | 16 | empty |
| 2 | 56 | 0.35 | 0.78 | 14 | EDO |
Interfaces
1 interface between chains.
- A–B · 514 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 6 modified, 1 covalent (nonstandard, methylation, covalent ligand).
Compared structures
- 6DJK · Structure of DNA polymerase III subunit beta from Rickettsia typhi in complex with a… · the same entry in another collection · chain A against A, TM-score 1.00
- Q68WW0 · AlphaFold monomer V2.0 prediction for beta sliding clamp (Q68WW0) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q68WW0
- Elsewhere: RCSB PDB 6DJK · PDBe 6DJK · UniProt Q68WW0
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