MolNFT v1 · #21162 · protein
Crystal structure of zipa in complex with indoloquinolizin inhibitor 1
1S1J · Cell division protein zipa: “Crystal structure of zipa in complex with indoloquinolizin inhibitor 1”. X-ray diffraction, 1 ligand (IQZ), 1 pocket (best druggability 0.61). MolNFT v1 #21162 on GenesisL1: 3D structure, binding sites…
- PDB
- 1S1J
- Type
- protein
- Length
- 274 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cell division protein zipa
- UniProt
- P77173
- Ligands
- IQZ
- Pockets
- 1 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cell division protein zipa | protein | 136 | 35% helix, 29% strand | P77173 |
| B | Cell division protein zipa | protein | 138 | 36% helix, 29% strand | P77173 |
Ligands and binding sites
- IQZ · (12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-a]quinolizin-7(6H)-one · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 350 | 0.61 | 0.78 | 44 | empty |
Interfaces
1 interface between chains.
- A–B · 313 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 1S1J · Crystal Structure of ZipA in complex with indoloquinolizin inhibitor 1 · the same entry in another collection · chain A against A, TM-score 1.00
- P77173 · AlphaFold monomer V2.0 prediction for cell division protein zipa (P77173) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P77173
- Elsewhere: RCSB PDB 1S1J · PDBe 1S1J · UniProt P77173
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