MolNFT v1 · #48257 · protein
Crystal structure of human leukotriene C4 synthase
2PNO: “Crystal structure of human leukotriene C4 synthase”. X-ray diffraction, 1 ligand (GSH), 20 pockets (best druggability 0.80). MolNFT v1 #48257 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2PNO
- Type
- protein
- Length
- 1,752 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Leukotriene C4 synthase
- EC
- 4.4.1.20
- UniProt
- Q16873
- Ligands
- GSH
- Pockets
- 20 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 84% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L | Leukotriene C4 synthase (EC 4.4.1.20) | protein | 146 | 84% helix, 0% strand | Q16873 |
Ligands and binding sites
- GSH · Glutathione · ligand · 12 copies · chains A, B, C, D, E, F, G, H, I, J, K, L
- LMT · Dodecyl-beta-D-maltoside · additive · 57 copies · chains B, C, A, D, F, E, G, H, J, L, K, I
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 496 | 0.80 | 0.87 | 35 | LMT |
| 2 | 549 | 0.80 | 0.86 | 35 | LMT |
| 3 | 579 | 0.80 | 0.85 | 37 | LMT |
| 4 | 577 | 0.79 | 0.84 | 39 | LMT |
| 5 | 231 | 0.74 | 0.89 | 36 | empty |
Interfaces
14 interfaces between chains.
- J–K · 1022 Ų buried · 5 hydrogen bonds · protein-protein
- G–I · 1022 Ų buried · 5 hydrogen bonds · protein-protein
- E–F · 1008 Ų buried · 4 hydrogen bonds · protein-protein
- H–I · 1008 Ų buried · 6 hydrogen bonds · protein-protein
- D–F · 1004 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 2PNO · Crystal structure of human leukotriene C4 synthase · the same entry in another collection · chain L against L, 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 Q16873
- Elsewhere: RCSB PDB 2PNO · PDBe 2PNO · UniProt Q16873
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