MolNFT v1 · #124596 · protein

Crystal structure of arabidopsis thaliana hct

5KJS · Shikimate O-hydroxycinnamoyltransferase: “Crystal structure of arabidopsis thaliana hct”. X-ray diffraction, 6 pockets (best druggability 0.84). MolNFT v1 #124596 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5KJS
Type: protein
Length: 429 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Shikimate O-hydroxycinnamoyltransferase
EC: 2.3.1.133
UniProt: Q9FI78
Pockets: 6 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Shikimate O-hydroxycinnamoyltransferase (EC 2.3.1.133)	protein	429	28% helix, 23% strand	Q9FI78

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	931	0.84	0.85	80	empty
2	136	0.61	0.85	25	empty
3	105	0.42	0.77	21	empty
4	70	0.37	0.77	18	empty
5	63	0.30	0.75	18	empty

Modifications

Observed in the structure: 12 modified (engineered).

Compared structures

5KJS · Crystal Structure of Arabidopsis thaliana HCT · the same entry in another collection · chain A against A, TM-score 1.00
Q9FI78 · AlphaFold monomer V2.0 prediction for shikimate O-hydroxycinnamoyltransferase (Q9FI78) · a predicted model of the same protein · chain A 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 Q9FI78
Elsewhere: RCSB PDB 5KJS · PDBe 5KJS · UniProt Q9FI78

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