MolNFT v1 · #77686 · protein + DNA
Crystal structure of a replicative DNA polymerase bound to DNA containing thymine glycol
3RMC: “Crystal structure of a replicative DNA polymerase bound to DNA containing thymine glycol”. X-ray diffraction, 20 pockets (best druggability 0.85). MolNFT v1 #77686 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3RMC
- Type
- protein + DNA
- Length
- 3,718 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA polymerase; DNA (5'-D(*CP*GP*TP*(CTG) P*GP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3')…
- EC
- 2.7.7.7
- UniProt
- Q38087
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 7 distinct chains · 41% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | DNA polymerase (EC 2.7.7.7) | protein | 902 | 41% helix, 18% strand | Q38087 |
| C | DNA polymerase (EC 2.7.7.7) | protein | 901 | 41% helix, 18% strand | Q38087 |
| D | DNA polymerase (EC 2.7.7.7) | protein | 890 | 40% helix, 16% strand | Q38087 |
| E, G, I | DNA (5'-D(*CP*GP*TP*(CTG) P*GP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3') | dna | 18 | — | — |
| F, H, J | DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*CP*A)-3') | dna | 14 | — | — |
| K | DNA (5'-D(*CP*GP*TP*(CTG) P*GP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3') | dna | 14 | — | — |
| L | DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*CP*A)-3') | dna | 13 | — | — |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 436 | 0.85 | 0.93 | 40 | empty |
| 2 | 351 | 0.83 | 0.92 | 40 | empty |
| 3 | 353 | 0.80 | 0.90 | 42 | empty |
| 4 | 980 | 0.80 | 0.81 | 74 | empty |
| 5 | 373 | 0.80 | 0.89 | 38 | empty |
Interfaces
17 interfaces between chains.
- A–E · 1183 Ų buried · 20 hydrogen bonds · protein-nucleic
- C–I · 1170 Ų buried · 16 hydrogen bonds · protein-nucleic
- B–G · 1121 Ų buried · 15 hydrogen bonds · protein-nucleic
- B–D · 725 Ų buried · 7 hydrogen bonds · protein-protein
- B–H · 682 Ų buried · 14 hydrogen bonds · protein-nucleic
Modifications
Observed in the structure: 3 modified (nucleotide modification).
Compared structures
- 3RMC · Crystal Structure of a replicative DNA polymerase bound to DNA containing Thymine Glycol · 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 Q38087
- Elsewhere: RCSB PDB 3RMC · PDBe 3RMC · UniProt Q38087
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.