MolNFT v1 · #83246 · protein
The complex structure of tcsqs with ligand, BPH1237
3WCB · Farnesyltransferase, putative: “The complex structure of tcsqs with ligand, BPH1237”. X-ray diffraction, 1 ligand (8PH), 13 pockets (best druggability 0.82). MolNFT v1 #83246 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3WCB
- 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
- 8PH
- Pockets
- 13 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Farnesyltransferase, putative (EC 2.5.1.21) | protein | 341 | 74% helix, 0% strand | Q4CWB4 |
Ligands and binding sites
- 8PH · hydrogen [(1R)-2-(3-decyl-1H-imidazol-3-ium-1-yl)-1-hydroxy-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
13 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1052 | 0.82 | 0.83 | 97 | empty |
| 2 | 1091 | 0.79 | 0.80 | 71 | 8PH |
| 3 | 962 | 0.78 | 0.80 | 63 | 8PH |
| 4 | 1158 | 0.78 | 0.80 | 74 | 8PH |
| 5 | 887 | 0.71 | 0.76 | 74 | empty |
Interfaces
5 interfaces between chains.
- A–C · 502 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 409 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 202 Ų buried · 0 hydrogen bonds · protein-protein
- C–D · 167 Ų buried · 3 hydrogen bonds · protein-protein
- B–D · 162 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3WCB · The complex structure of TcSQS with ligand, BPH1237 · 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 Q4CWB4
- Elsewhere: RCSB PDB 3WCB · PDBe 3WCB · UniProt Q4CWB4
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