Cobalt in PDB 8xly: Crystal Structure of Athppd-Phe Complex

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

The structure of Crystal Structure of Athppd-Phe Complex, PDB code: 8xly 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)	44.88 / 2.11
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	57.089, 57.131, 62.971, 97.25, 97.24, 94.8
R / Rfree (%)	20.5 / 24.5

The binding sites of Cobalt atom in the Crystal Structure of Athppd-Phe Complex (pdb code 8xly). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Crystal Structure of Athppd-Phe Complex, PDB code: 8xly:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Crystal Structure of Athppd-Phe 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-Phe Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Co501 b:62.8 occ:1.00 OE1 A:GLU394 2.4 35.9 1.0 NE2 A:HIS226 2.6 29.1 1.0 NE2 A:HIS308 2.9 32.8 1.0 CD A:GLU394 3.4 36.9 1.0 CE1 A:HIS308 3.4 31.8 1.0 CE1 A:HIS226 3.5 27.1 1.0 CD2 A:HIS226 3.6 28.9 1.0 OE2 A:GLU394 3.6 33.3 1.0 CD2 A:HIS308 4.1 31.8 1.0 O A:PHE419 4.1 48.4 1.0 CG2 A:VAL228 4.3 30.7 1.0 CB A:ALA310 4.5 28.8 1.0 CB A:PHE419 4.6 42.9 1.0 ND1 A:HIS226 4.6 31.9 1.0 CG A:GLU394 4.7 30.3 1.0 CG A:HIS226 4.7 30.1 1.0 ND1 A:HIS308 4.7 30.4 1.0 CD2 A:PHE419 4.8 36.3 1.0 CE2 A:PHE381 4.8 35.6 1.0 CB A:GLU394 4.9 32.6 1.0 CZ A:PHE381 5.0 37.1 1.0

Cobalt binding site 2 out of 2 in the Crystal Structure of Athppd-Phe Complex


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Crystal Structure of Athppd-Phe Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Co501 b:59.6 occ:1.00 O B:HOH665 2.5 41.6 1.0 OE1 B:GLU394 2.5 35.6 1.0 NE2 B:HIS226 2.7 31.1 1.0 NE2 B:HIS308 3.0 35.7 1.0 O B:PHE502 3.0 52.1 1.0 CD B:GLU394 3.4 35.6 1.0 CE1 B:HIS226 3.5 29.6 1.0 CE1 B:HIS308 3.6 36.3 1.0 OE2 B:GLU394 3.6 35.5 1.0 CD2 B:HIS226 3.7 31.5 1.0 C B:PHE502 4.0 55.6 1.0 O B:PHE419 4.1 46.0 1.0 CD2 B:HIS308 4.2 36.3 1.0 CB B:PHE419 4.5 42.0 1.0 CG2 B:VAL228 4.5 32.0 1.0 CD2 B:PHE419 4.6 36.6 1.0 OXT B:PHE502 4.6 54.4 1.0 CB B:PHE502 4.7 46.8 1.0 ND1 B:HIS226 4.7 29.6 1.0 CE2 B:PHE381 4.7 38.1 1.0 CB B:ALA310 4.7 28.8 1.0 CG B:GLU394 4.8 30.9 1.0 CG B:HIS226 4.8 30.7 1.0 ND1 B:HIS308 4.8 33.2 1.0 CD1 B:PHE502 4.9 52.7 1.0 CA B:PHE419 4.9 39.9 1.0 CZ B:PHE381 5.0 39.0 1.0 C B:PHE419 5.0 45.7 1.0

J.Dong, H.-Y.Lin, G.-F.Yang. Crystal Structure of Athppd-Phe Complex To Be Published.