MolNFT v1 · #114799 · protein
Fragment-based drug discovery targeting inhibitor of apoptosis proteins: compound 3
5C0K · E3 ubiquitin-protein ligase xiap: “Fragment-based drug discovery targeting inhibitor of apoptosis proteins: compound 3”. X-ray diffraction, 2 ligands (4WK, ZN). MolNFT v1 #114799 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 5C0K
- Type
- protein
- Length
- 104 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- E3 ubiquitin-protein ligase xiap
- EC
- 6.3.2.-
- UniProt
- P98170
- Ligands
- 4WK, ZN
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | E3 ubiquitin-protein ligase xiap (EC 6.3.2.-) | protein | 104 | 46% helix, 8% strand | P98170 |
Ligands and binding sites
- 4WK · (2S)-1-{[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino}-1-oxopropan-2-aminium · ligand · chains A
- ZN · Zinc ion · metal · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5C0K · Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 3 · 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 P98170
- Elsewhere: RCSB PDB 5C0K · PDBe 5C0K · UniProt P98170
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