MolNFT v1 · #160947 · protein + DNA
Polymerase eta-catalyzed insertion of correct G opposite template cytarabine (arac) residue
6PZ3 · DNA polymerase eta: “Polymerase eta-catalyzed insertion of correct G opposite template cytarabine (arac) residue”. X-ray diffraction, 2 ligands (XG4, MG), 6 pockets (best druggability 0.80). MolNFT v1 #160947 on GenesisL1: 3D…
- PDB
- 6PZ3
- Type
- protein + DNA
- Length
- 448 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA polymerase eta; DNA primer strand; DNA template containing cytarabine (arac) residue
- EC
- 2.7.7.7
- UniProt
- Q9Y253
- Ligands
- XG4, MG
- Pockets
- 6 · best druggability 0.80
Structure
x-ray diffraction · 3 distinct chains · 44% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA polymerase eta (EC 2.7.7.7) | protein | 429 | 44% helix, 21% strand | Q9Y253 |
| P | DNA primer strand | dna | 8 | — | — |
| T | DNA template containing cytarabine (arac) residue | dna | 11 | — | — |
Ligands and binding sites
- XG4 · 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine · ligand · chains A, P, T
- MG · Magnesium ion · metal · 2 copies · chains A, P
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 858 | 0.80 | 0.83 | 62 | XG4, MG |
| 2 | 591 | 0.73 | 0.81 | 48 | empty |
| 3 | 209 | 0.62 | 0.82 | 25 | empty |
| 4 | 97 | 0.43 | 0.79 | 21 | empty |
| 5 | 102 | 0.39 | 0.76 | 18 | empty |
Interfaces
3 interfaces between chains.
- A–T · 1002 Ų buried · 22 hydrogen bonds · protein-nucleic
- A–P · 561 Ų buried · 14 hydrogen bonds · protein-nucleic
- P–T · 373 Ų buried · 33 hydrogen bonds · nucleic-nucleic
Modifications
Observed in the structure: 1 modified (nucleotide modification).
Compared structures
- 6PZ3 · Polymerase Eta-catalyzed insertion of correct G opposite template cytarabine (AraC)… · 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 6PZ3 · PDBe 6PZ3 · UniProt Q9Y253
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