MolNFT v1 · #146494 · protein
Structure of DNA polymerase III subunit beta from borrelia burgdorferi in complex with a natural product
6DJ8 · Beta sliding clamp: “Structure of DNA polymerase III subunit beta from borrelia burgdorferi in complex with a natural product”. X-ray diffraction, 1 ligand (ACE), 5 pockets (best druggability 0.53). MolNFT v1 #146494 on GenesisL1…
- PDB
- 6DJ8
- Type
- protein
- Length
- 780 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta sliding clamp; Natural product peptide
- UniProt
- P33761
- Ligands
- ACE
- Pockets
- 5 · best druggability 0.53
Structure
x-ray diffraction · 3 distinct chains · 22% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta sliding clamp | protein | 384 | 22% helix, 40% strand | P33761 |
| B | Beta sliding clamp | protein | 376 | 22% helix, 41% strand | P33761 |
| C, D | Natural product peptide | protein | 10 | 0% helix, 0% strand | — |
Ligands and binding sites
- ACE · Acetyl group · ligand · 2 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 127 | 0.53 | 0.81 | 23 | empty |
| 2 | 63 | 0.33 | 0.76 | 14 | empty |
| 3 | 57 | 0.29 | 0.75 | 14 | empty |
| 4 | 64 | 0.28 | 0.73 | 17 | empty |
| 5 | 60 | 0.26 | 0.73 | 15 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1460 Ų buried · 34 hydrogen bonds · protein-protein
- A–C · 549 Ų buried · 1 hydrogen bond · protein-protein
- B–D · 538 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified, 2 covalent (nonstandard, methylation, covalent ligand).
Compared structures
- 6DJ8 · Structure of DNA polymerase III subunit beta from Borrelia burgdorferi in complex with a… · the same entry in another collection · chain A against A, TM-score 1.00
- P33761 · AlphaFold monomer V2.0 prediction for beta sliding clamp (P33761) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 P33761
- Elsewhere: RCSB PDB 6DJ8 · PDBe 6DJ8 · UniProt P33761
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