Research workbench
The complex structure of tcsqs with ligand, BPH1344
Analyse The complex structure of tcsqs with ligand, BPH1344 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3WCG
- Type
- protein
- Length
- 1,364 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Farnesyltransferase, putative
- EC
- 2.5.1.21
- UniProt
- Q4CWB4
- Ligands
- BH3
- Pockets
- 14 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 71% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Farnesyltransferase, putative (EC 2.5.1.21) | protein | 341 | 71% helix, 0% strand | Q4CWB4 |
Ligands and binding sites
- BH3 · hydrogen [(1R)-2-(3-pentadecyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1077 | 0.80 | 0.81 | 85 | BH3 |
| 2 | 1069 | 0.79 | 0.80 | 71 | BH3 |
| 3 | 1163 | 0.78 | 0.80 | 77 | BH3 |
| 4 | 1123 | 0.78 | 0.80 | 77 | BH3 |
| 5 | 628 | 0.71 | 0.79 | 67 | empty |
Interfaces
6 interfaces between chains.
- A–C · 634 Ų buried · 18 hydrogen bonds · protein-protein
- B–D · 513 Ų buried · 12 hydrogen bonds · protein-protein
- A–D · 478 Ų buried · 13 hydrogen bonds · protein-protein
- C–D · 206 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 149 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 3WCG · The complex structure of TcSQS with ligand, BPH1344 · the same entry in another collection · chain B against B, 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 Q4CWB4
- Elsewhere: RCSB PDB 3WCG · PDBe 3WCG · UniProt Q4CWB4
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