MolNFT v1 · #159815 · protein + DNA
Pre-catalytic ternary complex of human DNA polymerase mu with 1-nt gapped substrate containing undamaged template dg and bound incoming cmpcpp
6P1W · DNA-directed DNA/RNA polymerase mu: “Pre-catalytic ternary complex of human DNA polymerase mu with 1-nt gapped substrate containing undamaged…”. X-ray diffraction, 4 ligands (2TM, MG, NA), 2 pockets (best druggability 0.72). MolNFT…
- PDB
- 6P1W
- Type
- protein + DNA
- Length
- 345 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA-directed DNA/RNA polymerase mu; DNA (5'-D(*CP*GP*GP*CP*GP*TP*AP*CP*G)-3'); DNA…
- EC
- 2.7.7.7
- UniProt
- Q9NP87
- Ligands
- 2TM, MG, NA, CL
- Pockets
- 2 · best druggability 0.72
Structure
x-ray diffraction · 4 distinct chains · 51% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA-directed DNA/RNA polymerase mu (EC 2.7.7.7) | protein | 328 | 51% helix, 15% strand | Q9NP87 |
| T | DNA (5'-D(*CP*GP*GP*CP*GP*TP*AP*CP*G)-3') | dna | 9 | — | — |
| P | DNA (5'-D(*CP*GP*TP*A)-3') | dna | 4 | — | — |
| D | DNA (5'-D(P*GP*CP*CP*G)-3') | dna | 4 | — | — |
Ligands and binding sites
- 2TM · 5'-O-[(S)-hydroxy{[(s)-hydroxy(phosphonooxy) phosphoryl]methyl}phosphoryl]cytidine · ligand · chains A, T, P
- MG · Magnesium ion · metal · 2 copies · chains A, P
- NA · Sodium ion · metal · chains A, P
- CL · Chloride ion · ion · 4 copies · chains A, D, T
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1083 | 0.72 | 0.76 | 66 | 2TM, MG, CL |
| 2 | 69 | 0.39 | 0.80 | 12 | empty |
Interfaces
5 interfaces between chains.
- A–T · 716 Ų buried · 19 hydrogen bonds · protein-nucleic
- A–P · 396 Ų buried · 11 hydrogen bonds · protein-nucleic
- A–D · 392 Ų buried · 15 hydrogen bonds · protein-nucleic
- T–P · 228 Ų buried · 13 hydrogen bonds · nucleic-nucleic
- T–D · 193 Ų buried · 18 hydrogen bonds · nucleic-nucleic
Compared structures
- 6P1W · Pre-catalytic ternary complex of human DNA Polymerase Mu with 1-nt gapped substrate… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9NP87 · AlphaFold monomer V2.0 prediction for DNA-directed DNA/RNA polymerase mu (Q9NP87) · 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 Q9NP87
- Elsewhere: RCSB PDB 6P1W · PDBe 6P1W · UniProt Q9NP87
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