Cobalt in PDB 6m28: Sirohydrochlorin Nickelochelatase Cfba in Complex with CO2+

All present enzymatic activity of Sirohydrochlorin Nickelochelatase Cfba in Complex with CO2+:
4.99.1.11; 4.99.1.3;

The structure of Sirohydrochlorin Nickelochelatase Cfba in Complex with CO2+, PDB code: 6m28 was solved by T.Fujishiro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.17 / 3.00
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	68.06, 68.06, 82.08, 90, 90, 90
R / Rfree (%)	18.4 / 23.7

The binding sites of Cobalt atom in the Sirohydrochlorin Nickelochelatase Cfba in Complex with CO2+ (pdb code 6m28). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Sirohydrochlorin Nickelochelatase Cfba in Complex with CO2+, PDB code: 6m28:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Sirohydrochlorin Nickelochelatase Cfba in Complex with CO2+


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Sirohydrochlorin Nickelochelatase Cfba in Complex with CO2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Co201 b:188.6 occ:0.46 NE2 A:HIS75 1.8 159.5 1.0 NE2 A:HIS9 1.8 161.9 1.0 CE1 A:HIS9 2.5 154.4 1.0 CE1 A:HIS75 2.6 145.4 1.0 CD2 A:HIS75 2.7 144.6 1.0 CD2 A:HIS9 2.8 129.4 1.0 ND1 A:HIS9 3.5 144.2 1.0 ND1 A:HIS75 3.6 130.5 1.0 CG A:HIS75 3.6 132.5 1.0 CG A:HIS9 3.7 128.4 1.0 OE2 A:GLU42 3.8 168.0 1.0 CE A:MET41 4.0 106.3 1.0 CD A:GLU42 4.5 160.9 1.0 OE1 A:GLU42 4.5 145.7 1.0

Cobalt binding site 2 out of 2 in the Sirohydrochlorin Nickelochelatase Cfba in Complex with CO2+


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Sirohydrochlorin Nickelochelatase Cfba in Complex with CO2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Co201 b:190.6 occ:0.52 NE2 B:HIS9 1.8 160.3 1.0 NE2 B:HIS75 1.8 158.4 1.0 CE1 B:HIS9 2.5 158.6 1.0 CE1 B:HIS75 2.6 135.8 1.0 CD2 B:HIS75 2.7 134.2 1.0 CD2 B:HIS9 2.8 134.8 1.0 ND1 B:HIS9 3.6 137.8 1.0 ND1 B:HIS75 3.6 110.4 1.0 CG B:HIS75 3.6 119.5 1.0 CG B:HIS9 3.7 129.4 1.0 OE1 B:GLU42 3.9 150.6 1.0 CB B:HIS75 5.0 102.9 1.0

T.Fujishiro, S.Ogawa. The Nickel-Sirohydrochlorin Formation Mechanismof the Ancestral Class II Chelatase Cfba in COENZYMEF430 Biosynthesis Chem Sci 2021.
ISSN: ESSN 2041-6539
DOI: 10.1039/D0SC05439A