Cobalt in PDB 3sch: Co(II)-Hppe with R-Hpp

The structure of Co(II)-Hppe with R-Hpp, PDB code: 3sch was solved by C.L.Drennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.10
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	86.120, 86.120, 219.056, 90.00, 90.00, 120.00
R / Rfree (%)	21.7 / 24.5

The binding sites of Cobalt atom in the Co(II)-Hppe with R-Hpp (pdb code 3sch). 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(II)-Hppe with R-Hpp, PDB code: 3sch:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Co(II)-Hppe with R-Hpp


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Co(II)-Hppe with R-Hpp within 5.0Å range: probe atom residue distance (Å) B Occ A:Co201 b:41.1 occ:1.00 NE2 A:HIS138 1.9 44.2 1.0 OE1 A:GLU142 2.0 44.4 1.0 O13 A:TB6199 2.1 48.6 1.0 O10 A:TB6199 2.1 47.2 1.0 NE2 A:HIS180 2.2 41.1 1.0 CD A:GLU142 2.7 41.6 1.0 OE2 A:GLU142 2.8 49.3 1.0 CE1 A:HIS138 2.9 44.8 1.0 CD2 A:HIS138 3.0 43.5 1.0 CD2 A:HIS180 3.2 37.2 1.0 CE1 A:HIS180 3.2 38.2 1.0 C2 A:TB6199 3.4 52.1 1.0 P7 A:TB6199 3.4 49.9 1.0 O A:HOH230 3.6 41.5 1.0 C6 A:TB6199 3.9 51.1 1.0 O14 A:TB6199 4.0 51.6 1.0 ND1 A:HIS138 4.0 45.1 1.0 ND2 A:ASN135 4.1 49.2 1.0 CG A:HIS138 4.1 44.7 1.0 CG A:GLU142 4.2 37.4 1.0 ND1 A:HIS180 4.3 39.5 1.0 CG A:HIS180 4.3 38.0 1.0 O12 A:TB6199 4.5 50.6 1.0 C1 A:TB6199 4.5 51.4 1.0 OD1 A:ASN197 4.6 42.5 1.0 CB A:GLU142 4.7 31.0 1.0 CE2 A:PHE182 4.7 45.5 1.0 CG1 A:VAL174 5.0 36.2 1.0

Cobalt binding site 2 out of 2 in the Co(II)-Hppe with R-Hpp


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Co(II)-Hppe with R-Hpp within 5.0Å range: probe atom residue distance (Å) B Occ B:Co200 b:40.1 occ:1.00 O13 B:TB6199 2.0 47.4 1.0 O10 B:TB6199 2.0 41.6 1.0 OE1 B:GLU142 2.1 40.6 1.0 NE2 B:HIS138 2.1 42.1 1.0 NE2 B:HIS180 2.2 37.6 1.0 CD B:GLU142 2.9 36.4 1.0 CE1 B:HIS138 3.1 43.9 1.0 OE2 B:GLU142 3.1 40.3 1.0 CD2 B:HIS138 3.1 43.9 1.0 CE1 B:HIS180 3.2 31.5 1.0 C2 B:TB6199 3.2 45.8 1.0 CD2 B:HIS180 3.2 32.8 1.0 P7 B:TB6199 3.3 50.2 1.0 C6 B:TB6199 3.6 48.5 1.0 O B:HOH277 3.8 42.3 1.0 ND2 B:ASN135 3.9 48.8 1.0 O14 B:TB6199 4.0 51.1 1.0 ND1 B:HIS138 4.2 45.2 1.0 CG B:HIS138 4.3 45.3 1.0 O12 B:TB6199 4.3 53.1 1.0 CG B:GLU142 4.3 32.3 1.0 ND1 B:HIS180 4.3 30.7 1.0 C1 B:TB6199 4.4 48.4 1.0 CG B:HIS180 4.4 31.7 1.0 OD1 B:ASN197 4.6 38.0 1.0 CB B:GLU142 4.7 27.1 1.0 CG B:ASN135 5.0 49.1 1.0

D.Yun, M.Dey, L.J.Higgins, F.Yan, H.W.Liu, C.L.Drennan. Structural Basis of Regiospecificity of A Mononuclear Iron Enzyme in Antibiotic Fosfomycin Biosynthesis. J.Am.Chem.Soc. V. 133 11262 2011.
ISSN: ISSN 0002-7863
PubMed: 21682308
DOI: 10.1021/JA2025728