MolNFT v1 · #143150 · protein + DNA + RNA
Structure of a thermostable group II intron reverse transcriptase with template-primer and its functional and evolutionary implications (RT/DUPLEX (nat))
6AR1 · Gsi-iic rt: “Structure of a thermostable group II intron reverse transcriptase with template-primer and its functional and…”. X-ray diffraction, 3 ligands (DTP, MG, SO4), 10 pockets (best druggability 0.78). MolNFT v1 #143150 on…
- PDB
- 6AR1
- Type
- protein + DNA + RNA
- Length
- 881 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gsi-iic rt; DNA; RNA
- UniProt
- E2GM63
- Ligands
- DTP, MG, SO4
- Pockets
- 10 · best druggability 0.78
Structure
x-ray diffraction · 5 distinct chains · 56% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Gsi-iic rt | protein | 417 | 56% helix, 11% strand | E2GM63 |
| B | DNA | dna | 11 | — | — |
| C, F | RNA | rna | 14 | — | — |
| D | Gsi-iic rt | protein | 415 | 56% helix, 11% strand | E2GM63 |
| E | DNA | dna | 10 | — | — |
Ligands and binding sites
- DTP · 2'-deoxyadenosine 5'-triphosphate · ligand · 2 copies · chains A, B, C, D, E, F
- MG · Magnesium ion · metal · 2 copies · chains A, D
- SO4 · Sulfate ion · ion · 2 copies · chains A, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 427 | 0.78 | 0.87 | 50 | SO4 |
| 2 | 1107 | 0.77 | 0.80 | 72 | DTP, MG |
| 3 | 359 | 0.75 | 0.86 | 48 | DTP, MG |
| 4 | 84 | 0.44 | 0.81 | 15 | empty |
| 5 | 63 | 0.42 | 0.82 | 21 | empty |
Interfaces
8 interfaces between chains.
- A–C · 940 Ų buried · 26 hydrogen bonds · protein-nucleic
- D–F · 939 Ų buried · 21 hydrogen bonds · protein-nucleic
- A–D · 713 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 646 Ų buried · 5 hydrogen bonds · protein-nucleic
- D–E · 631 Ų buried · 3 hydrogen bonds · protein-nucleic
Compared structures
- 6AR1 · Structure of a Thermostable Group II Intron Reverse Transcriptase with Template-Primer… · 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 E2GM63
- Elsewhere: RCSB PDB 6AR1 · PDBe 6AR1 · UniProt E2GM63
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