Research workbench
Binary complex of the large fragment of DNA polymerase I from T. aquaticus bound to a PRIMER/TEMPLATE DNA
Analyse Binary complex of the large fragment of DNA polymerase I from T. aquaticus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4KTQ
- Type
- protein + DNA
- Length
- 564 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA (5'- D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'); DNA (5'…
- EC
- 2.7.7.7
- UniProt
- P19821
- Pockets
- 7 · best druggability 0.68
Structure
x-ray diffraction · 3 distinct chains · 50% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | DNA (5'- D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3') | dna | 12 | — | — |
| C | DNA (5'- D(*GP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3') | dna | 13 | — | — |
| A | Protein (large fragment of DNA polymerase I) (EC 2.7.7.7) | protein | 539 | 50% helix, 13% strand | P19821 |
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 162 | 0.68 | 0.88 | 19 | empty |
| 2 | 264 | 0.63 | 0.81 | 39 | empty |
| 3 | 358 | 0.58 | 0.76 | 32 | empty |
| 4 | 188 | 0.52 | 0.77 | 26 | empty |
| 5 | 63 | 0.38 | 0.80 | 14 | empty |
Interfaces
3 interfaces between chains.
- C–A · 881 Ų buried · 20 hydrogen bonds · protein-nucleic
- B–A · 786 Ų buried · 23 hydrogen bonds · protein-nucleic
- B–C · 557 Ų buried · 61 hydrogen bonds · nucleic-nucleic
Modifications
Observed in the structure: 1 modified (nucleotide modification).
Compared structures
- 4KTQ · Binary complex of the large fragment of DNA polymerase I from T. aquaticus bound to a… · the same entry in another collection · chain B against B, TM-score 1.00
- P19821 · AlphaFold monomer V2.0 prediction for DNA polymerase I, thermostable (P19821) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P19821
- Elsewhere: RCSB PDB 4KTQ · PDBe 4KTQ · UniProt P19821
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