MolNFT v1 · #30058 · protein
Crystal structure of the catalytic domain of atypical protein kinase C-iota
1ZRZ · Protein kinase C, iota: “Crystal structure of the catalytic domain of atypical protein kinase C-iota”. X-ray diffraction, 1 ligand (BI1), 5 pockets (best druggability 0.60). MolNFT v1 #30058 on GenesisL1: 3D structure, binding sites…
- PDB
- 1ZRZ
- Type
- protein
- Length
- 312 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein kinase C, iota
- EC
- 2.7.1.-
- UniProt
- P41743
- Ligands
- BI1
- Pockets
- 5 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein kinase C, iota (EC 2.7.1.-) | protein | 312 | 35% helix, 16% strand | P41743 |
Ligands and binding sites
- BI1 · 3-{1-[3-(dimethylamino)propyl]-1H-indol-3-yl}-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 258 | 0.60 | 0.79 | 28 | BI1 |
| 2 | 164 | 0.47 | 0.76 | 28 | empty |
| 3 | 74 | 0.44 | 0.80 | 17 | empty |
| 4 | 80 | 0.39 | 0.78 | 19 | empty |
| 5 | 52 | 0.33 | 0.78 | 13 | empty |
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 1ZRZ · Crystal Structure of the Catalytic Domain of Atypical Protein Kinase C-iota · the same entry in another collection · chain A against A, TM-score 1.00
- P41743 · AlphaFold monomer V2.0 prediction for protein kinase C iota type (P41743) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P41743
- Elsewhere: RCSB PDB 1ZRZ · PDBe 1ZRZ · UniProt P41743
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