MolNFT v1 · #166278 · protein
Crystal structure of HIV-1 reverse transcriptase (rt) in complex with 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-DIMETHYLPHENOXY}THIENO[3,2- D]PYRIMIDIN-2-YL)AMINO]-2-fluorobenzonitrile (24B), a non-nucleoside rt inhibitor
6UL5: “Crystal structure of HIV-1 reverse transcriptase (rt) in complex with…”. X-ray diffraction, 3 ligands (QAG, MG, SO4). MolNFT v1 #166278 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6UL5
- Type
- protein
- Length
- 972 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P03366
- Ligands
- QAG, MG, SO4
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 556 | — | P03366 |
| B | — | protein | 416 | — | P03366 |
Ligands and binding sites
- QAG · 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile · ligand · chains A, B
- MG · Magnesium ion · metal · chains A
- SO4 · Sulfate ion · ion · 7 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6UL5 · Crystal structure of 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 6UL5 · PDBe 6UL5 · UniProt P03366
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