MolNFT v1 · #128591 · protein
Crystal structure of TNKS2 in complex with 2-(4-ethoxyphenyl)-3,4- dihydroquinazolin-4-one
5NVE: “Crystal structure of TNKS2 in complex with 2-(4-ethoxyphenyl)-3,4- dihydroquinazolin-4-one”. X-ray diffraction, 3 ligands (9AQ, ZN, SO4). MolNFT v1 #128591 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5NVE
- Type
- protein
- Length
- 418 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q9H2K2
- Ligands
- 9AQ, ZN, SO4
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | — | protein | 162 | — | Q9H2K2 |
| H, I | — | protein | 47 | — | Q9H2K2 |
Ligands and binding sites
- 9AQ · 2-(4-ethoxyphenyl)-3~{H}-quinazolin-4-one · ligand · 2 copies · chains A, H, B, I
- ZN · Zinc ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 4 copies · chains A, H, B, I
- GOL · Glycerol · additive · 2 copies · chains H, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5NVE · Crystal structure of TNKS2 in complex with 2-(4-ethoxyphenyl)-3,4-dihydroquinazolin-4-one · the same entry in another collection · chain B against B, 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 5NVE · PDBe 5NVE · UniProt Q9H2K2
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