MolNFT v1 · #148685 · protein
Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-226
6FDS: “Crystal structure of T. brucei pde-B1 catalytic domain with inhibitor npd-226”. X-ray diffraction, 4 ligands (GAI, D5T, ZN). MolNFT v1 #148685 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6FDS
- Type
- protein
- Length
- 665 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q8WQX9
- Ligands
- GAI, D5T, ZN, MG
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 333 | — | Q8WQX9 |
| B | — | protein | 332 | — | Q8WQX9 |
Ligands and binding sites
- GAI · Guanidine · ligand · 6 copies · chains A, B
- D5T · 1-[2-[4-[(4~{A}~{S},8~{A}~{R})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{A},5,8,8~{A}-tetrahydrophthalazin-2-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6FDS · Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-226 · 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 6FDS · PDBe 6FDS · UniProt Q8WQX9
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