MolNFT v1 · #190476 · protein

Crystal structure of athppd-(+)-usnic acid complex

7X8H · 4-hydroxyphenylpyruvate dioxygenase: “Crystal structure of athppd-(+)-usnic acid complex”. X-ray diffraction, 2 ligands (AIY, CO), 2 pockets (best druggability 0.68). MolNFT v1 #190476 on GenesisL1: 3D structure, binding sites and…

PDB: 7X8H
Type: protein
Length: 386 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 4-hydroxyphenylpyruvate dioxygenase
EC: 1.13.11.27
UniProt: P93836
Ligands: AIY, CO
Pockets: 2 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 34% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	4-hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27)	protein	386	30% helix, 34% strand	P93836

Ligands and binding sites

AIY · (9bR)-2,6-diethanoyl-8,9b-dimethyl-3,7,9-tris(oxidanyl)dibenzofuran-1-one · ligand · chains A
CO · Cobalt (II) ion · metal · 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	543	0.68	0.78	45	CO, AIY
2	69	0.34	0.76	12	empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

7X8H · Crystal structure of AtHPPD-(+)-Usnic acid complex · the same entry in another collection · chain A against A, 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 P93836
Elsewhere: RCSB PDB 7X8H · PDBe 7X8H · UniProt P93836

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