MolNFT v1 · #22942 · protein
Crystal structure of HIV-1 reverse transcriptase in complex with GW451211
1TL1 · Pol polyprotein, reverse transcriptase, chain a: “Crystal structure of HIV-1 reverse transcriptase in complex with GW451211”. X-ray diffraction, 2 ligands (H18, PO4), 18 pockets (best druggability 0.79). MolNFT v1 #22942 on…
- PDB
- 1TL1
- Type
- protein
- Length
- 917 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pol polyprotein, reverse transcriptase, chain a; Pol polyprotein, reverse transcriptase…
- EC
- 2.7.7.49
- UniProt
- P04585
- Ligands
- H18, PO4
- Pockets
- 18 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pol polyprotein, reverse transcriptase, chain a (EC 2.7.7.49) | protein | 517 | 32% helix, 21% strand | P04585 |
| B | Pol polyprotein, reverse transcriptase, chain B (EC 2.7.7.49) | protein | 400 | 34% helix, 21% strand | P04585 |
Ligands and binding sites
- H18 · 6-chloro-4-(cyclohexylsulfinyl)-3-propylquinolin-2(1H)-one · ligand · chains A
- PO4 · Phosphate ion · ion · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 726 | 0.79 | 0.83 | 63 | H18 |
| 2 | 529 | 0.74 | 0.82 | 62 | empty |
| 3 | 435 | 0.62 | 0.76 | 38 | empty |
| 4 | 257 | 0.58 | 0.79 | 30 | empty |
| 5 | 299 | 0.56 | 0.76 | 33 | empty |
Interfaces
1 interface between chains.
- A–B · 2533 Ų buried · 35 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (oxidation).
Compared structures
- 1TL1 · Crystal structure of HIV-1 reverse transcriptase in complex with GW451211 · 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 P04585
- Elsewhere: RCSB PDB 1TL1 · PDBe 1TL1 · UniProt P04585
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.