Cobalt in PDB 7x8d: Crystal Structure of Athppd-Phenylpyruvate Complex

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

The structure of Crystal Structure of Athppd-Phenylpyruvate Complex, PDB code: 7x8d was solved by J.Dong, H.-Y.Lin, G.-F.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.40 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	76.969, 84.18, 62.075, 90, 100.1, 90
R / Rfree (%)	19.1 / 22.3

The binding sites of Cobalt atom in the Crystal Structure of Athppd-Phenylpyruvate Complex (pdb code 7x8d). 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-Phenylpyruvate Complex, PDB code: 7x8d:

Cobalt binding site 1 out of 1 in the Crystal Structure of Athppd-Phenylpyruvate 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-Phenylpyruvate Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Co501 b:55.6 occ:1.00 O A:HOH647 2.5 41.6 1.0 OE1 A:GLU394 2.6 27.5 1.0 NE2 A:HIS226 2.7 28.2 1.0 NE2 A:HIS308 2.8 27.0 1.0 CE1 A:HIS308 3.3 29.8 1.0 O3 A:PPY502 3.5 48.9 1.0 CE1 A:HIS226 3.5 24.4 1.0 CD A:GLU394 3.6 29.8 1.0 CD2 A:HIS226 3.7 24.9 1.0 OE2 A:GLU394 3.9 31.1 1.0 C2 A:PPY502 4.0 45.6 1.0 CD2 A:HIS308 4.1 26.0 1.0 CG2 A:VAL228 4.1 22.2 1.0 O A:PHE419 4.2 42.8 1.0 O2 A:PPY502 4.4 49.7 1.0 C1 A:PPY502 4.6 44.6 1.0 CE1 A:PHE381 4.6 30.4 1.0 ND1 A:HIS308 4.6 28.1 1.0 ND1 A:HIS226 4.7 24.5 1.0 C3 A:PPY502 4.7 41.6 1.0 CZ A:PHE381 4.7 32.2 1.0 C2' A:PPY502 4.8 47.3 1.0 CB A:PHE419 4.8 35.5 1.0 CG A:HIS226 4.8 24.4 1.0 CB A:ALA310 4.9 24.0 1.0 CG A:GLU394 5.0 25.1 1.0 CD2 A:PHE419 5.0 32.2 1.0

J.Dong, J.Dong, X.H.Yu, Y.C.Yan, J.X.Nan, B.He, B.Q.Ye, W.C.Yang, H.Y.Lin, G.F.Yang. Structural Insights of 4-Hydrophenylpyruvate Dioxygenase Inhibition By Structurally Diverse Small Molecules Adv Agrochem 2022.
ISSN: ESSN 2773-2371
DOI: 10.1016/J.AAC.2022.10.002