MolNFT v1 · #22681 · protein
SIV protease complexed with inhibitor SB203386
1TCW: “SIV protease complexed with inhibitor SB203386”. X-ray diffraction, 1 ligand (IM1), 1 pocket (best druggability 0.73). MolNFT v1 #22681 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1TCW
- Type
- protein
- Length
- 198 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SIV protease
- EC
- 3.4.23.16
- UniProt
- Q07387
- Ligands
- IM1
- Pockets
- 1 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | SIV protease (EC 3.4.23.16) | protein | 99 | 7% helix, 52% strand | Q07387 |
Ligands and binding sites
- IM1 · (2R,4S,5S,1'S)-2-phenylmethyl-4-hydroxy-5-(tert-butoxycarbonyl)amino-6-phenyl hexanoyl-N-(1'-imidazo-2-yl)-2'-methylpropanamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 319 | 0.73 | 0.85 | 32 | IM1 |
Interfaces
1 interface between chains.
- A–B · 1787 Ų buried · 36 hydrogen bonds · protein-protein
Compared structures
- 1TCW · SIV protease complexed with inhibitor SB203386 · 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 Q07387
- Elsewhere: RCSB PDB 1TCW · PDBe 1TCW · UniProt Q07387
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