Research workbench
HIV-1 reverse transcriptase with bound fragment at the 507 site
Analyse HIV-1 reverse transcriptase with bound fragment at the 507 site in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4IG0
- Type
- protein
- Length
- 972 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Reverse TRANSCRIPTASE/RIBONUCLEASE H; P51 rt
- EC
- 2.7.7.49, 2.7.7.7, 3.1.26.13
- UniProt
- P03366
- Ligands
- 1FG
- Pockets
- 16 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Reverse TRANSCRIPTASE/RIBONUCLEASE H (EC 2.7.7.49, 2.7.7.7, 3.1.26.13) | protein | 556 | 32% helix, 23% strand | P03366 |
| B | P51 rt (EC 2.7.7.49, 2.7.7.7, 3.1.26.13) | protein | 416 | 37% helix, 19% strand | P03366 |
Ligands and binding sites
- 1FG · 2-({[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl](methyl)amino}methyl)quinazolin-4(1H)-one · ligand · 2 copies · chains A, B
- DMS · Dimethyl sulfoxide · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1056 | 0.82 | 0.83 | 113 | 1FG |
| 2 | 510 | 0.76 | 0.83 | 40 | 1FG |
| 3 | 346 | 0.73 | 0.85 | 36 | empty |
| 4 | 72 | 0.72 | 0.95 | 15 | empty |
| 5 | 693 | 0.71 | 0.78 | 54 | empty |
Interfaces
1 interface between chains.
- A–B · 2774 Ų buried · 29 hydrogen bonds · protein-protein
Compared structures
- 4IG0 · HIV-1 reverse transcriptase with bound fragment at the 507 site · 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 4IG0 · PDBe 4IG0 · UniProt P03366
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