MolNFT v1 · #168558 · protein + DNA
Crystal structure of human polymerase eta complexed with xanthine containing DNA
6WK6 · DNA polymerase eta: “Crystal structure of human polymerase eta complexed with xanthine containing DNA”. X-ray diffraction, 2 ligands (0KX, MG), 4 pockets (best druggability 0.82). MolNFT v1 #168558 on GenesisL1: 3D structure…
- PDB
- 6WK6
- Type
- protein + DNA
- Length
- 446 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*(3ZO)P*CP*TP*CP*AP*CP*AP*CP*T)-3'); DNA…
- EC
- 2.7.7.7
- UniProt
- Q9Y253
- Ligands
- 0KX, MG
- Pockets
- 4 · best druggability 0.82
Structure
x-ray diffraction · 3 distinct chains · 43% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA polymerase eta (EC 2.7.7.7) | protein | 427 | 43% helix, 22% strand | Q9Y253 |
| T | DNA (5'-D(*CP*AP*TP*(3ZO)P*CP*TP*CP*AP*CP*AP*CP*T)-3') | dna | 11 | — | — |
| P | DNA (5'-D(*AP*GP*TP*GP*TP*GP*AP*G)-3') | dna | 8 | — | — |
Ligands and binding sites
- 0KX · 2'-deoxy-5'-O-[(R)-hydroxy{[(r)-hydroxy(phosphonooxy) phosphoryl]amino}phosphoryl]cytidine · ligand · chains A, T, P
- MG · Magnesium ion · metal · 2 copies · chains A, P
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1088 | 0.82 | 0.84 | 77 | 0KX, MG |
| 2 | 470 | 0.73 | 0.83 | 44 | empty |
| 3 | 103 | 0.39 | 0.76 | 16 | empty |
| 4 | 56 | 0.31 | 0.76 | 12 | empty |
Interfaces
3 interfaces between chains.
- A–T · 1086 Ų buried · 21 hydrogen bonds · protein-nucleic
- A–P · 571 Ų buried · 16 hydrogen bonds · protein-nucleic
- T–P · 388 Ų buried · 37 hydrogen bonds · nucleic-nucleic
Modifications
Observed in the structure: 1 modified (nucleotide modification).
Compared structures
- 6WK6 · Crystal structure of human polymerase eta complexed with Xanthine containing DNA · 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 Q9Y253
- Elsewhere: RCSB PDB 6WK6 · PDBe 6WK6 · UniProt Q9Y253
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