Research workbench
Human DNA polymerase eta- DNA ternary complex: at crystal at PH6.8(K+ mes) with 1 CA2+ ion
Analyse Human DNA polymerase eta- DNA ternary complex: at crystal at PH6.8(K+ mes) with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4ECQ
- Type
- protein + DNA
- Length
- 449 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA polymerase eta; DNA (5'-D(*CP*AP*TP*TP*AP*TP*GP*AP*CP*GP*CP*T)-3'); DNA…
- EC
- 2.7.7.7
- UniProt
- Q9Y253
- Ligands
- DTP, CA
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 3 distinct chains · 45% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA polymerase eta (EC 2.7.7.7) | protein | 430 | 45% helix, 22% strand | Q9Y253 |
| T | DNA (5'-D(*CP*AP*TP*TP*AP*TP*GP*AP*CP*GP*CP*T)-3') | dna | 11 | — | — |
| P | DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*TP*A)-3') | dna | 8 | — | — |
Ligands and binding sites
- DTP · 2'-deoxyadenosine 5'-triphosphate · ligand · chains A, T, P
- CA · Calcium ion · metal · chains A
- GOL · Glycerol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 932 | 0.79 | 0.81 | 61 | CA, DTP |
| 2 | 573 | 0.73 | 0.81 | 48 | empty |
| 3 | 227 | 0.65 | 0.83 | 22 | empty |
| 4 | 95 | 0.46 | 0.80 | 20 | empty |
| 5 | 109 | 0.39 | 0.76 | 17 | empty |
Interfaces
3 interfaces between chains.
- A–T · 1041 Ų buried · 20 hydrogen bonds · protein-nucleic
- A–P · 583 Ų buried · 14 hydrogen bonds · protein-nucleic
- T–P · 372 Ų buried · 25 hydrogen bonds · nucleic-nucleic
Compared structures
- 4ECQ · Human DNA polymerase eta- DNA ternary complex: AT crystal at pH6.8(K+ MES) with 1 Ca2+ ion · the same entry in another collection · chain T against T, TM-score 1.00
- Q9Y253 · AlphaFold monomer V2.0 prediction for DNA polymerase eta (Q9Y253) · 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 Q9Y253
- Elsewhere: RCSB PDB 4ECQ · PDBe 4ECQ · UniProt Q9Y253
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