MolNFT v1 · #114705 · protein
Human tankyrase-2 in complex with macrocyclised extended peptide CP4N4M5
5BXU: “Human tankyrase-2 in complex with macrocyclised extended peptide CP4N4M5”. X-ray diffraction, 3 ligands (ACE, 4XQ, CL). MolNFT v1 #114705 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5BXU
- Type
- protein
- Length
- 171 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tankyrase-2; CP4N4M5
- EC
- 2.4.2.30
- UniProt
- Q9H2K2
- Ligands
- ACE, 4XQ, CL
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tankyrase-2 (EC 2.4.2.30) | protein | 163 | 48% helix, 0% strand | Q9H2K2 |
| B | CP4N4M5 | protein | 8 | 0% helix, 0% strand | — |
Ligands and binding sites
- ACE · Acetyl group · ligand · chains A, B
- 4XQ · 4,4'-pentane-1,5-diylbis(1-propyl-1H-1,2,3-triazole) · ligand · chains A, B
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
1 interface between chains.
- A–B · 619 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 covalent, 1 modified (covalent ligand, nonstandard).
Compared structures
- 5BXU · Human Tankyrase-2 in Complex with Macrocyclised Extended Peptide cp4n4m5 · 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 Q9H2K2
- Elsewhere: RCSB PDB 5BXU · PDBe 5BXU · UniProt Q9H2K2
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