MolNFT v1 · #186796 · protein + DNA
Archaeal DNA ligase and heterotrimeric PCNA in complex with end-joined DNA
7RPX · DNA polymerase sliding clamp 1: “Archaeal DNA ligase and heterotrimeric PCNA in complex with end-joined DNA”. Electron microscopy, 1 ligand (MN), 20 pockets (best druggability 0.83). MolNFT v1 #186796 on GenesisL1: 3D structure…
- PDB
- 7RPX
- Type
- protein + DNA
- Length
- 1,389 residues
- Chains
- 6
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA polymerase sliding clamp 1; DNA polymerase sliding clamp 2; DNA polymerase sliding…
- EC
- 6.5.1.1
- UniProt
- P57766, Q97Z84, P57765, Q980T8
- Ligands
- MN
- Pockets
- 20 · best druggability 0.83
Structure
electron microscopy · 6 distinct chains · 21% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA polymerase sliding clamp 1 | protein | 251 | 15% helix, 37% strand | P57766 |
| B | DNA polymerase sliding clamp 2 | protein | 243 | 15% helix, 35% strand | Q97Z84 |
| C | DNA polymerase sliding clamp 3 | protein | 243 | 14% helix, 29% strand | P57765 |
| X | End-joined DNA | dna | 31 | — | — |
| Z | Template strand DNA | dna | 31 | — | — |
| E | DNA ligase (EC 6.5.1.1) | protein | 590 | 29% helix, 15% strand | Q980T8 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 3 copies · chains X, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1070 | 0.83 | 0.84 | 89 | MN |
| 2 | 156 | 0.82 | 0.97 | 25 | empty |
| 3 | 125 | 0.79 | 0.96 | 24 | empty |
| 4 | 98 | 0.78 | 0.97 | 27 | empty |
| 5 | 436 | 0.75 | 0.85 | 48 | empty |
Interfaces
13 interfaces between chains.
- X–Z · 1405 Ų buried · 94 hydrogen bonds · nucleic-nucleic
- Z–E · 1067 Ų buried · 26 hydrogen bonds · protein-nucleic
- X–E · 1054 Ų buried · 21 hydrogen bonds · protein-nucleic
- C–E · 951 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 793 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 7RPX · Archaeal DNA ligase and heterotrimeric PCNA in complex with end-joined DNA · the same entry in another collection · chain E against E, TM-score 1.00
- Q97Z84 · AlphaFold monomer V2.0 prediction for DNA polymerase sliding clamp 2 (Q97Z84) · a predicted model of the same protein · chain B against A, TM-score 0.96
- P57766 · AlphaFold monomer V2.0 prediction for DNA polymerase sliding clamp 1 (P57766) · a predicted model of the same protein · chain A against A, TM-score 0.94
- P57765 · AlphaFold monomer V2.0 prediction for DNA polymerase sliding clamp 3 (P57765) · a predicted model of the same protein · chain C against A, TM-score 0.92
- Q980T8 · AlphaFold monomer V2.0 prediction for DNA ligase (Q980T8) · a predicted model of the same protein · chain E against A, TM-score 0.66
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 P57766
- Every structure of UniProt Q97Z84
- Every structure of UniProt P57765
- Every structure of UniProt Q980T8
- Elsewhere: RCSB PDB 7RPX · PDBe 7RPX · UniProt P57766 · UniProt Q97Z84 · UniProt P57765 · UniProt Q980T8
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