MolNFT v1 · #91729 · protein + DNA
Pyrococcus abyssi B family DNA polymerase bound to a dsdna, in edition mode
4FLZ · DNA polymerase 1: “Pyrococcus abyssi B family DNA polymerase bound to a dsdna, in edition mode”. X-ray diffraction, 1 ligand (MG), 8 pockets (best druggability 0.83). MolNFT v1 #91729 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4FLZ
- Type
- protein + DNA
- Length
- 777 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA polymerase 1; Primer strand; Template strand
- EC
- 2.7.7.7
- UniProt
- P0CL77
- Ligands
- MG
- Pockets
- 8 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 42% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA polymerase 1 (EC 2.7.7.7) | protein | 754 | 42% helix, 23% strand | P0CL77 |
| P | Primer strand | dna | 8 | — | — |
| T | Template strand | dna | 15 | — | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 768 | 0.83 | 0.86 | 83 | MG, GOL |
| 2 | 412 | 0.77 | 0.87 | 46 | empty |
| 3 | 162 | 0.49 | 0.77 | 17 | empty |
| 4 | 76 | 0.46 | 0.82 | 15 | empty |
| 5 | 120 | 0.45 | 0.77 | 26 | empty |
Interfaces
3 interfaces between chains.
- A–T · 1430 Ų buried · 32 hydrogen bonds · protein-nucleic
- A–P · 511 Ų buried · 16 hydrogen bonds · protein-nucleic
- P–T · 398 Ų buried · 44 hydrogen bonds · nucleic-nucleic
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4FLZ · Pyrococcus abyssi B family DNA polymerase bound to a dsDNA, in edition mode · the same entry in another collection · chain A against A, TM-score 1.00
- P0CL77 · AlphaFold monomer V2.0 prediction for DNA polymerase 1 (P0CL77) · a predicted model of the same protein · chain A against A, TM-score 0.83
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 P0CL77
- Elsewhere: RCSB PDB 4FLZ · PDBe 4FLZ · UniProt P0CL77
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