Research workbench
Telomerase reverse transcriptase ternary complex, TERT:DNA:DGPCPP
Analyse Telomerase reverse transcriptase ternary complex, TERT:DNA:DGPCPP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6USR
- Type
- protein + DNA + RNA
- Length
- 623 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Telomerase reverse transcriptase; DNA (5'-D(*GP*GP*TP*CP*AP*GP*GP*TP*CP*AP*GP*GP*TP*CP*A)…
- EC
- 2.7.7.49
- UniProt
- Q0QHL8
- Ligands
- G2P, MG, K
- Pockets
- 11 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 49% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Telomerase reverse transcriptase (EC 2.7.7.49) | protein | 592 | 49% helix, 11% strand | Q0QHL8 |
| E | DNA (5'-D(*GP*GP*TP*CP*AP*GP*GP*TP*CP*AP*GP*GP*TP*CP*A)- 3') | dna | 15 | — | — |
| F | DNA/RNA (5'-R(*CP*UP*GP*AP*CP*CP*UP*GP*AP*C)-D(P*CP*T)- R(P*GP*AP*C)-D(P*C)-3') | rna | 16 | — | — |
Ligands and binding sites
- G2P · Phosphomethylphosphonic acid guanylate ester · ligand · chains A, E, F
- MG · Magnesium ion · metal · 5 copies · chains E, A, F
- K · Potassium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 996 | 0.84 | 0.86 | 88 | MG, G2P, K |
| 2 | 224 | 0.69 | 0.85 | 42 | empty |
| 3 | 90 | 0.60 | 0.88 | 20 | empty |
| 4 | 150 | 0.47 | 0.77 | 20 | empty |
| 5 | 89 | 0.46 | 0.80 | 20 | empty |
Interfaces
3 interfaces between chains.
- E–F · 680 Ų buried · 60 hydrogen bonds · nucleic-nucleic
- A–E · 610 Ų buried · 15 hydrogen bonds · protein-nucleic
- A–F · 604 Ų buried · 5 hydrogen bonds · protein-nucleic
Compared structures
- 6USR · Telomerase Reverse Transcriptase ternary complex, TERT:DNA:dGpCpp · 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 Q0QHL8
- Elsewhere: RCSB PDB 6USR · PDBe 6USR · UniProt Q0QHL8
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