MolNFT v1 · #166526 · protein + DNA + RNA
Telomerase reverse transcriptase prenucleotide binary complex, TERT:DNA
6USO: “Telomerase reverse transcriptase prenucleotide binary complex, TERT:DNA”. X-ray diffraction, 1 ligand (MG), 8 pockets (best druggability 0.84). MolNFT v1 #166526 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6USO
- Type
- protein + DNA + RNA
- Length
- 627 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
- MG
- Pockets
- 8 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 49% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Telomerase reverse transcriptase (EC 2.7.7.49) | protein | 596 | 49% helix, 14% 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
- MG · Magnesium ion · metal · 5 copies · chains A, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 956 | 0.84 | 0.85 | 96 | MG |
| 2 | 130 | 0.66 | 0.88 | 28 | empty |
| 3 | 122 | 0.61 | 0.86 | 20 | empty |
| 4 | 91 | 0.42 | 0.78 | 17 | empty |
| 5 | 61 | 0.34 | 0.77 | 17 | empty |
Interfaces
3 interfaces between chains.
- E–F · 700 Ų buried · 70 hydrogen bonds · nucleic-nucleic
- A–E · 607 Ų buried · 12 hydrogen bonds · protein-nucleic
- A–F · 551 Ų buried · 7 hydrogen bonds · protein-nucleic
Compared structures
- 6USO · Telomerase Reverse Transcriptase prenucleotide binary complex, TERT:DNA · 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 6USO · PDBe 6USO · UniProt Q0QHL8
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