MolNFT v1 · #86544 · protein + DNA
Structure of the high fidelity DNA polymerase I with extending from an oxidative formamidopyrimidine-dg DNA lesion -da basepair.
4B9V: “Structure of the high fidelity DNA polymerase I with extending from an oxidative formamidopyrimidine-dg DNA…”. X-ray diffraction, 2 ligands (MG, SO4), 10 pockets (best druggability 0.69). MolNFT v1 #86544 on GenesisL1: 3D structure…
- PDB
- 4B9V
- Type
- protein + DNA
- Length
- 602 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA polymerase; 5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*TP*AP*AP)-3'…
- EC
- 2.7.7.7
- UniProt
- E1C9K5
- Ligands
- MG, SO4
- Pockets
- 10 · best druggability 0.69
Structure
x-ray diffraction · 3 distinct chains · 55% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA polymerase (EC 2.7.7.7) | protein | 579 | 55% helix, 13% strand | E1C9K5 |
| B | 5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*TP*AP*AP)-3' | dna | 11 | — | — |
| C | 5'-D(*CP*AP*TP*FOXP*AP*GP*AP*GP*TP*CP*AP*GP*GP*CP*TP)-3' | dna | 12 | — | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 320 | 0.69 | 0.84 | 35 | empty |
| 2 | 797 | 0.69 | 0.76 | 67 | SO4, MG |
| 3 | 50 | 0.68 | 0.98 | 21 | empty |
| 4 | 396 | 0.68 | 0.80 | 45 | SO4 |
| 5 | 219 | 0.62 | 0.82 | 27 | empty |
Interfaces
3 interfaces between chains.
- A–C · 869 Ų buried · 13 hydrogen bonds · protein-nucleic
- A–B · 858 Ų buried · 20 hydrogen bonds · protein-nucleic
- B–C · 485 Ų buried · 44 hydrogen bonds · nucleic-nucleic
Modifications
Observed in the structure: 1 modified (nucleotide modification).
Compared structures
- 4B9V · Structure of the high fidelity DNA polymerase I with extending from an oxidative… · the same entry in another collection · chain A against A, TM-score 1.00
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 E1C9K5
- Elsewhere: RCSB PDB 4B9V · PDBe 4B9V · UniProt E1C9K5
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