MolNFT v1 · #155733 · protein

Complex structure of hppd with an inhibitor Y16542

6LGT · 4-hydroxyphenylpyruvate dioxygenase: “Complex structure of hppd with an inhibitor Y16542”. X-ray diffraction, 2 ligands (ED3, CO), 2 pockets (best druggability 0.69). MolNFT v1 #155733 on GenesisL1: 3D structure, binding sites and…

PDB: 6LGT
Type: protein
Length: 382 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: ED3, CO
Pockets: 2 · best druggability 0.69

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	382	30% helix, 34% strand	P93836

Ligands and binding sites

ED3 · 3-(2-chlorophenyl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione · ligand · chains A
CO · Cobalt (II) ion · metal · chains A
MPD · (4S)-2-methyl-2,4-pentanediol · additive · 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	447	0.69	0.80	43	CO, ED3
2	66	0.33	0.76	12	MPD

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

6LGT · Complex structure of HPPD with an inhibitor Y16542 · 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 6LGT · PDBe 6LGT · UniProt P93836

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