MolNFT v1 · #22097 · protein
Crystal structure of K103N mutant HIV-1 reverse transcriptase (rt) in complex with janssen-R165335
1SV5: “Crystal structure of K103N mutant HIV-1 reverse transcriptase (rt) in complex with janssen-R165335”. X-ray diffraction, 1 ligand (65B), 17 pockets (best druggability 0.76). MolNFT v1 #22097 on GenesisL1: 3D structure, binding sites…
- PDB
- 1SV5
- Type
- protein
- Length
- 979 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Reverse transcriptase
- EC
- 2.7.7.49
- UniProt
- P03366
- Ligands
- 65B
- Pockets
- 17 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Reverse transcriptase (EC 2.7.7.49) | protein | 552 | 31% helix, 20% strand | P03366 |
| B | Reverse transcriptase (EC 2.7.7.49) | protein | 427 | 30% helix, 18% strand | P03366 |
Ligands and binding sites
- 65B · 4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 997 | 0.76 | 0.79 | 93 | 65B |
| 2 | 795 | 0.73 | 0.78 | 70 | empty |
| 3 | 272 | 0.69 | 0.84 | 28 | empty |
| 4 | 315 | 0.68 | 0.83 | 38 | empty |
| 5 | 257 | 0.60 | 0.80 | 42 | empty |
Interfaces
1 interface between chains.
- A–B · 2500 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 1SV5 · Crystal structure of K103N mutant HIV-1 reverse transcriptase (rt) in complex with… · 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 1SV5 · PDBe 1SV5 · UniProt P03366
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