Research workbench
HIV-1 reverse transcriptase isolated rnaseh domain with the inhibitor beta-thujaplicinol bound at the active site
Analyse HIV-1 reverse transcriptase isolated rnaseh domain with the inhibitor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3K2P
- Type
- protein
- Length
- 262 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Reverse transcriptase
- EC
- 3.1.26.4
- UniProt
- P03366
- Ligands
- JTH, MN
- Pockets
- 3 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Reverse transcriptase (EC 3.1.26.4) | protein | 131 | 34% helix, 25% strand | P03366 |
Ligands and binding sites
- JTH · 2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one · ligand · 2 copies · chains A, B
- MN · Manganese (II) ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 245 | 0.48 | 0.74 | 34 | MN, JTH |
| 2 | 137 | 0.41 | 0.74 | 22 | empty |
| 3 | 125 | 0.40 | 0.75 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 689 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 3K2P · HIV-1 Reverse Transcriptase Isolated RnaseH Domain with the Inhibitor beta-thujaplicinol… · 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 P03366
- Elsewhere: RCSB PDB 3K2P · PDBe 3K2P · UniProt P03366
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