Cobalt in PDB 8how: Crystal Structure of Athppd-Y191052 Complex

All present enzymatic activity of Crystal Structure of Athppd-Y191052 Complex:
1.13.11.27;

The structure of Crystal Structure of Athppd-Y191052 Complex, PDB code: 8how was solved by G.-F.Yang, H.-Y.Lin, J.Dong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.65 / 1.79
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	76.444, 84.094, 60.653, 90, 99.25, 90
R / Rfree (%)	21.9 / 22.9

The binding sites of Cobalt atom in the Crystal Structure of Athppd-Y191052 Complex (pdb code 8how). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total only one binding site of Cobalt was determined in the Crystal Structure of Athppd-Y191052 Complex, PDB code: 8how:

Cobalt binding site 1 out of 1 in the Crystal Structure of Athppd-Y191052 Complex


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Crystal Structure of Athppd-Y191052 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Co501 b:31.6 occ:1.00 O24 A:9YI502 2.0 26.5 1.0 OE1 A:GLU394 2.1 26.8 1.0 O7 A:9YI502 2.2 31.2 1.0 NE2 A:HIS226 2.2 27.1 1.0 NE2 A:HIS308 2.5 29.3 1.0 C9 A:9YI502 3.0 41.0 1.0 CD A:GLU394 3.2 30.5 1.0 CE1 A:HIS226 3.2 29.0 1.0 CD2 A:HIS226 3.2 27.4 1.0 C6 A:9YI502 3.3 37.2 1.0 CD2 A:HIS308 3.4 33.4 1.0 CE1 A:HIS308 3.5 35.7 1.0 OE2 A:GLU394 3.5 31.2 1.0 C5 A:9YI502 3.6 36.8 1.0 ND1 A:HIS226 4.3 30.4 1.0 C10 A:9YI502 4.3 40.0 1.0 CG A:HIS226 4.3 26.9 1.0 O A:PHE419 4.4 40.6 1.0 CB A:ALA310 4.4 26.7 1.0 CG A:GLU394 4.5 27.0 1.0 CG2 A:VAL228 4.5 29.0 1.0 CG A:HIS308 4.5 29.4 1.0 ND1 A:HIS308 4.6 30.1 1.0 CD2 A:PHE419 4.6 33.0 1.0 C1 A:9YI502 4.7 35.1 1.0 CB A:PHE419 4.7 35.8 1.0 CB A:GLU394 4.7 26.1 1.0 CE1 A:PHE381 4.8 37.0 1.0 C23 A:9YI502 4.9 38.4 1.0 C11 A:9YI502 5.0 43.9 1.0

J.Dong, J.Dong, X.H.Yu, Y.C.Yan, J.X.Nan, B.Q.Ye, W.C.Yang, H.Y.Lin, G.F.Yang. Discovery of Subnanomolar Inhibitors of 4-Hydroxyphenylpyruvate Dioxygenase Via Structure-Based Rational Design. J.Agric.Food Chem. 2023.
ISSN: ESSN 1520-5118
PubMed: 36599124
DOI: 10.1021/ACS.JAFC.2C06727