Research workbench
Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-356
Analyse Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-356 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6FDW
- Type
- protein
- Length
- 664 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q8WQX9
- Ligands
- D62, GAI, ZN, MG
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 333 | — | Q8WQX9 |
| B | — | protein | 331 | — | Q8WQX9 |
Ligands and binding sites
- D62 · (4as,8ar)-2-(1-{2-aminothieno[2,3-d]pyrimidin-4-yl}piperidin-4-yl)-4-(3,4- dimethoxyphenyl)-1,2,4A,5, 8,8A-hexahydrophthalazin-1-one · ligand · 2 copies · chains A, B
- GAI · Guanidine · ligand · chains A
- ZN · Zinc ion · metal · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6FDW · Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-356 · 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 Q8WQX9
- Elsewhere: RCSB PDB 6FDW · PDBe 6FDW · UniProt Q8WQX9
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