Cobalt in PDB 6qh4: Crystal Structure of Human Methylmalonyl-Coa Epimerase (Mcee) P.ARG143CYS Variant

All present enzymatic activity of Crystal Structure of Human Methylmalonyl-Coa Epimerase (Mcee) P.ARG143CYS Variant:
5.1.99.1;

The structure of Crystal Structure of Human Methylmalonyl-Coa Epimerase (Mcee) P.ARG143CYS Variant, PDB code: 6qh4 was solved by H.J.Bailey, A.Chaikuid, E.Krysztofinska, D.S.Froese, F.J.Sorrell, L.Diaz-Saez, E.Kennedy, A.M.Edwards, C.Bountra, W.W.Yue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	77.13 / 1.92
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.162, 66.990, 77.125, 90.00, 90.02, 90.00
R / Rfree (%)	22.8 / 27.6

The binding sites of Cobalt atom in the Crystal Structure of Human Methylmalonyl-Coa Epimerase (Mcee) P.ARG143CYS Variant (pdb code 6qh4). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 4 binding sites of Cobalt where determined in the Crystal Structure of Human Methylmalonyl-Coa Epimerase (Mcee) P.ARG143CYS Variant, PDB code: 6qh4:
Jump to Cobalt binding site number: 1; 2; 3; 4;

Cobalt binding site 1 out of 4 in the Crystal Structure of Human Methylmalonyl-Coa Epimerase (Mcee) P.ARG143CYS Variant


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 Human Methylmalonyl-Coa Epimerase (Mcee) P.ARG143CYS Variant within 5.0Å range: probe atom residue distance (Å) B Occ C:Co201 b:44.7 occ:1.00 NE2 C:HIS50 2.2 23.4 1.0 NE2 C:HIS122 2.4 24.5 1.0 OE2 C:GLU172 2.4 45.9 1.0 CE1 C:HIS50 2.5 23.1 1.0 CE1 C:HIS122 3.0 24.7 1.0 CD C:GLU172 3.5 45.3 1.0 CD2 C:HIS50 3.6 23.2 1.0 CD2 C:HIS122 3.6 24.6 1.0 OE1 C:GLU172 3.8 48.9 1.0 ND1 C:HIS50 3.8 24.2 1.0 OE1 C:GLU97 4.2 35.6 1.0 ND1 C:HIS122 4.3 24.9 1.0 CG C:HIS50 4.4 23.8 1.0 CB C:CYS124 4.4 24.4 1.0 CG C:HIS122 4.5 24.7 1.0 CG C:GLU172 4.8 40.0 1.0 SG C:CYS124 4.8 26.1 1.0 CD C:GLU97 4.8 33.9 1.0 CB C:ALA52 4.9 15.8 1.0

Cobalt binding site 2 out of 4 in the Crystal Structure of Human Methylmalonyl-Coa Epimerase (Mcee) P.ARG143CYS Variant


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 Human Methylmalonyl-Coa Epimerase (Mcee) P.ARG143CYS Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Co201 b:35.0 occ:1.00 NE2 A:HIS122 2.4 22.9 1.0 NE2 A:HIS50 2.4 23.2 1.0 OE2 A:GLU172 2.4 43.5 1.0 O A:HOH302 2.5 33.7 1.0 CE1 A:HIS50 2.9 23.6 1.0 CE1 A:HIS122 3.0 23.1 1.0 CD A:GLU172 3.4 42.7 1.0 CD2 A:HIS122 3.6 22.6 1.0 CD2 A:HIS50 3.7 23.5 1.0 OE1 A:GLU172 3.7 45.3 1.0 OE1 A:GLU97 3.8 37.5 1.0 ND1 A:HIS50 4.2 24.6 1.0 ND1 A:HIS122 4.2 22.7 1.0 O A:HOH321 4.2 22.2 1.0 CG A:HIS122 4.5 22.6 1.0 CD A:GLU97 4.6 36.9 1.0 CG A:HIS50 4.6 23.8 1.0 CB A:CYS124 4.8 26.3 1.0 CG A:GLU172 4.8 37.5 1.0 CB A:ALA52 4.9 18.2 1.0 CZ A:PHE160 4.9 21.9 1.0 OE2 A:GLU97 4.9 38.8 1.0

Cobalt binding site 3 out of 4 in the Crystal Structure of Human Methylmalonyl-Coa Epimerase (Mcee) P.ARG143CYS Variant


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of Crystal Structure of Human Methylmalonyl-Coa Epimerase (Mcee) P.ARG143CYS Variant within 5.0Å range: probe atom residue distance (Å) B Occ B:Co201 b:42.8 occ:1.00 NE2 B:HIS122 2.3 20.5 1.0 OE1 B:GLU172 2.4 35.6 1.0 NE2 B:HIS50 2.6 20.6 1.0 CE1 B:HIS122 3.0 19.2 1.0 CE1 B:HIS50 3.1 22.1 1.0 CD B:GLU172 3.4 33.5 1.0 CD2 B:HIS122 3.5 17.1 1.0 OE2 B:GLU172 3.6 36.7 1.0 CD2 B:HIS50 3.9 21.0 1.0 ND1 B:HIS122 4.2 19.3 1.0 OE1 B:GLU97 4.2 33.9 1.0 ND1 B:HIS50 4.4 23.9 1.0 CG B:HIS122 4.5 18.1 1.0 CB B:CYS124 4.7 21.2 1.0 CG B:GLU172 4.7 27.6 1.0 CG B:HIS50 4.8 23.3 1.0 CZ B:PHE160 4.9 28.2 1.0 CD B:GLU97 4.9 33.0 1.0 SG B:CYS124 5.0 24.3 1.0 CB B:GLU172 5.0 24.3 1.0

Cobalt binding site 4 out of 4 in the Crystal Structure of Human Methylmalonyl-Coa Epimerase (Mcee) P.ARG143CYS Variant


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of Crystal Structure of Human Methylmalonyl-Coa Epimerase (Mcee) P.ARG143CYS Variant within 5.0Å range: probe atom residue distance (Å) B Occ D:Co201 b:43.9 occ:1.00 NE2 D:HIS122 2.3 23.7 1.0 O D:HOH308 2.4 27.2 1.0 NE2 D:HIS50 2.6 30.5 1.0 OE1 D:GLU172 2.6 43.6 1.0 CE1 D:HIS122 2.9 23.7 1.0 CE1 D:HIS50 3.0 31.1 1.0 CD2 D:HIS122 3.5 22.9 1.0 CD D:GLU172 3.6 41.5 1.0 CD2 D:HIS50 3.8 29.8 1.0 OE1 D:GLU97 3.8 38.0 1.0 OE2 D:GLU172 3.9 43.1 1.0 ND1 D:HIS122 4.2 23.1 1.0 ND1 D:HIS50 4.3 30.9 1.0 CG D:HIS122 4.5 22.9 1.0 CD D:GLU97 4.6 36.9 1.0 CG D:HIS50 4.7 29.7 1.0 CB D:ALA52 4.7 22.0 1.0 CB D:CYS124 4.9 24.2 1.0 CG D:GLU172 5.0 36.6 1.0 OE2 D:GLU97 5.0 37.3 1.0

H.J.Bailey, A.Chaikuid, E.Krysztofinska, D.S.Froese, F.J.Sorrell, L.Diaz-Saez, E.Kennedy, A.M.Edwards, C.Bountra, W.W.Yue. Crystal Structure of Human Methylmalonyl-Coa Epimerase (Mcee) P.ARG143CYS Variant To Be Published.