Cobalt in PDB 7lrr: Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2, Crystallized in the Presence of Cu(II) (M1) and Co(II) (M2)

The structure of Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2, Crystallized in the Presence of Cu(II) (M1) and Co(II) (M2), PDB code: 7lrr was solved by T.S.Choi, F.A.Tezcan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.27 / 1.89
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.51, 61.15, 64.17, 90, 90, 90
R / Rfree (%)	19 / 22.9

The structure of Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2, Crystallized in the Presence of Cu(II) (M1) and Co(II) (M2) also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Cobalt atom in the Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2, Crystallized in the Presence of Cu(II) (M1) and Co(II) (M2) (pdb code 7lrr). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2, Crystallized in the Presence of Cu(II) (M1) and Co(II) (M2), PDB code: 7lrr:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2, Crystallized in the Presence of Cu(II) (M1) and Co(II) (M2)


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2, Crystallized in the Presence of Cu(II) (M1) and Co(II) (M2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Co202 b:17.1 occ:1.00 NE2 B:HIS67 2.1 10.4 1.0 NE2 A:HIS104 2.2 10.5 1.0 O A:HOH335 2.2 11.6 1.0 NE2 A:HIS100 2.2 15.2 1.0 NE2 B:HIS71 2.2 15.2 1.0 NE2 A:HIS60 2.3 11.6 1.0 CE1 B:HIS67 3.1 12.7 1.0 CD2 A:HIS104 3.1 16.2 1.0 CD2 A:HIS100 3.1 9.9 1.0 CD2 B:HIS67 3.1 10.4 1.0 CE1 A:HIS60 3.2 17.4 1.0 CE1 B:HIS71 3.2 15.8 1.0 CE1 A:HIS104 3.2 11.2 1.0 CD2 B:HIS71 3.2 12.6 1.0 CD2 A:HIS60 3.3 14.1 1.0 CE1 A:HIS100 3.3 13.6 1.0 ND1 B:HIS67 4.2 16.5 1.0 O B:HOH327 4.2 19.4 1.0 CG A:HIS104 4.2 14.5 1.0 CG B:HIS67 4.3 12.7 1.0 ND1 A:HIS104 4.3 14.6 1.0 CG A:HIS100 4.3 13.2 1.0 ND1 B:HIS71 4.3 15.0 1.0 ND1 A:HIS60 4.3 14.8 1.0 CG B:HIS71 4.3 17.9 1.0 ND1 A:HIS100 4.3 13.0 1.0 O A:HOH367 4.3 27.3 1.0 CG A:HIS60 4.4 18.8 1.0 O A:HOH353 4.8 16.7 1.0

Cobalt binding site 2 out of 2 in the Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2, Crystallized in the Presence of Cu(II) (M1) and Co(II) (M2)


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2, Crystallized in the Presence of Cu(II) (M1) and Co(II) (M2) within 5.0Å range: probe atom residue distance (Å) B Occ B:Co202 b:18.0 occ:1.00 NE2 B:HIS100 2.2 13.0 1.0 NE2 B:HIS104 2.2 13.6 1.0 O A:HOH354 2.2 10.7 1.0 NE2 A:HIS71 2.2 12.1 1.0 NE2 A:HIS67 2.3 12.9 1.0 NE2 B:HIS60 2.3 12.4 1.0 CE1 A:HIS71 3.1 15.5 1.0 CD2 B:HIS104 3.1 13.9 1.0 CD2 B:HIS100 3.2 14.6 1.0 CE1 B:HIS100 3.2 12.1 1.0 CE1 B:HIS104 3.2 14.5 1.0 CD2 B:HIS60 3.2 12.7 1.0 CD2 A:HIS67 3.2 8.8 1.0 CE1 B:HIS60 3.2 14.2 1.0 CE1 A:HIS67 3.3 11.2 1.0 CD2 A:HIS71 3.3 9.9 1.0 ND1 A:HIS71 4.3 16.3 1.0 ND1 B:HIS104 4.3 20.5 1.0 ND1 B:HIS100 4.3 11.2 1.0 O A:HOH329 4.3 19.7 1.0 CG B:HIS104 4.3 17.9 1.0 CG B:HIS100 4.3 14.9 1.0 ND1 B:HIS60 4.3 16.6 1.0 CG B:HIS60 4.3 17.1 1.0 ND1 A:HIS67 4.4 14.0 1.0 CG A:HIS67 4.4 14.4 1.0 CG A:HIS71 4.4 16.2 1.0 O B:HOH395 4.5 23.1 1.0

T.S.Choi, F.A.Tezcan. Structure-Guided Metal Selectivity in Malleable Protein Interface Mediated By Single Disulfide Bond To Be Published.