MolNFT v1 · #27423 · protein

Crystal structure of PKC-theta complexed with staurosporine at 2A resolution

1XJD · Protein kinase C, theta type: “Crystal structure of PKC-theta complexed with staurosporine at 2A resolution”. X-ray diffraction, 1 ligand (STU), 2 pockets (best druggability 0.67). MolNFT v1 #27423 on GenesisL1: 3D structure…

PDB: 1XJD
Type: protein
Length: 282 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein kinase C, theta type
EC: 2.7.1.-
UniProt: Q04759
Ligands: STU
Pockets: 2 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein kinase C, theta type (EC 2.7.1.-)	protein	282	38% helix, 18% strand	Q04759

Ligands and binding sites

STU · Staurosporine · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	235	0.67	0.84	25	STU
2	67	0.31	0.75	15	empty

Modifications

Observed in the structure: 2 modified (phosphorylation).

Compared structures

1XJD · Crystal Structure of PKC-theta complexed with Staurosporine at 2A resolution · the same entry in another collection · chain A against A, TM-score 1.00
Q04759 · AlphaFold monomer V2.0 prediction for protein kinase C theta type (Q04759) · 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 Q04759
Elsewhere: RCSB PDB 1XJD · PDBe 1XJD · UniProt Q04759

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