MolNFT v1 · #179445 · protein + DNA
Bst DNA polymerase I time-resolved structure, 48 hr post datp and dctp addition
7K5U · DNA (5'-D(P*CP*GP*AP*TP*CP*AP*CP*GP*TP*AP*C)-3'): “Bst DNA polymerase I time-resolved structure, 48 hr post datp and dctp addition”. X-ray diffraction, 1 ligand (SO4), 9 pockets (best druggability 0.71). MolNFT v1 #179445 on…
- PDB
- 7K5U
- Type
- protein + DNA
- Length
- 601 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA (5'-D(P*CP*GP*AP*TP*CP*AP*CP*GP*TP*AP*C)-3'); DNA…
- EC
- 2.7.7.7
- UniProt
- E1C9K5
- Ligands
- SO4
- Pockets
- 9 · best druggability 0.71
Structure
x-ray diffraction · 3 distinct chains · 56% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| P | DNA (5'-D(P*CP*GP*AP*TP*CP*AP*CP*GP*TP*AP*C)-3') | dna | 11 | — | — |
| T | DNA (5'-D(P*CP*GP*TP*AP*CP*GP*TP*GP*AP*TP*CP*GP*C)-3') | dna | 13 | — | — |
| A | DNA polymerase I (EC 2.7.7.7) | protein | 577 | 56% helix, 13% strand | E1C9K5 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 953 | 0.71 | 0.76 | 78 | SO4 |
| 2 | 154 | 0.69 | 0.90 | 19 | empty |
| 3 | 354 | 0.69 | 0.82 | 45 | empty |
| 4 | 164 | 0.53 | 0.80 | 20 | empty |
| 5 | 111 | 0.44 | 0.78 | 22 | empty |
Interfaces
3 interfaces between chains.
- T–A · 1080 Ų buried · 17 hydrogen bonds · protein-nucleic
- P–A · 853 Ų buried · 18 hydrogen bonds · protein-nucleic
- P–T · 506 Ų buried · 57 hydrogen bonds · nucleic-nucleic
Compared structures
- 7K5U · Bst DNA polymerase I time-resolved structure, 48 hr post dATP and dCTP addition · the same entry in another collection · chain P against P, 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 7K5U · PDBe 7K5U · UniProt E1C9K5
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