MolNFT v1 · #181836 · protein + DNA
Human DNA pol eta with 2'-fa-ended primer and dampnpp
7M7N · DNA polymerase eta: “Human DNA pol eta with 2'-fa-ended primer and dampnpp”. X-ray diffraction, 2 ligands (DZ4, MG), 5 pockets (best druggability 0.79). MolNFT v1 #181836 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7M7N
- Type
- protein + DNA
- Length
- 444 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*TP*TP*GP*AP*CP*GP*CP*T)-3'); DNA…
- EC
- 2.7.7.7
- UniProt
- Q9Y253
- Ligands
- DZ4, MG
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 3 distinct chains · 44% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA polymerase eta (EC 2.7.7.7) | protein | 425 | 44% helix, 22% strand | Q9Y253 |
| T | DNA (5'-D(*CP*AP*TP*TP*TP*TP*GP*AP*CP*GP*CP*T)-3') | dna | 11 | — | — |
| P | DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*(AF5))-3') | dna | 8 | — | — |
Ligands and binding sites
- DZ4 · 2'-deoxy-5'-O-[(R)-hydroxy{[(r)-hydroxy(phosphonooxy) phosphoryl]amino}phosphoryl]adenosine · ligand · 2 copies · chains A, T, P
- MG · Magnesium ion · metal · 2 copies · chains A, P
- 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 | 972 | 0.79 | 0.82 | 63 | DZ4, MG |
| 2 | 520 | 0.71 | 0.80 | 45 | empty |
| 3 | 210 | 0.68 | 0.86 | 21 | empty |
| 4 | 84 | 0.44 | 0.80 | 18 | empty |
| 5 | 81 | 0.34 | 0.75 | 17 | GOL |
Interfaces
3 interfaces between chains.
- A–T · 973 Ų buried · 17 hydrogen bonds · protein-nucleic
- A–P · 589 Ų buried · 14 hydrogen bonds · protein-nucleic
- T–P · 383 Ų buried · 26 hydrogen bonds · nucleic-nucleic
Modifications
Observed in the structure: 1 modified (nucleotide modification).
Compared structures
- 7M7N · Human DNA Pol eta with 2'-FA-ended primer and dAMPNPP · 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 7M7N · PDBe 7M7N · UniProt Q9Y253
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