Nickel in PDB 1ef8: Crystal Structure of Methylmalonyl Coa Decarboxylase

All present enzymatic activity of Crystal Structure of Methylmalonyl Coa Decarboxylase:
4.1.1.41;

The structure of Crystal Structure of Methylmalonyl Coa Decarboxylase, PDB code: 1ef8 was solved by M.M.Benning, T.Haller, J.A.Gerlt, H.M.Holden, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	130.300, 115.400, 80.300, 90.00, 127.80, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Nickel atom in the Crystal Structure of Methylmalonyl Coa Decarboxylase (pdb code 1ef8). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the Crystal Structure of Methylmalonyl Coa Decarboxylase, PDB code: 1ef8:

Nickel binding site 1 out of 1 in the Crystal Structure of Methylmalonyl Coa Decarboxylase


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of Methylmalonyl Coa Decarboxylase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni300 b:20.4 occ:1.00 NE2 C:HIS220 2.0 23.5 1.0 NE2 A:HIS220 2.1 22.0 1.0 NE2 B:HIS220 2.2 17.5 1.0 CE1 C:HIS220 2.8 66.6 1.0 CE1 B:HIS220 3.0 61.7 1.0 CE1 A:HIS220 3.0 48.0 1.0 CD2 C:HIS220 3.1 21.7 1.0 CD2 A:HIS220 3.1 19.8 1.0 CD2 B:HIS220 3.2 29.6 1.0 ND1 C:HIS220 3.9 52.1 1.0 ND1 B:HIS220 4.1 46.9 1.0 CG C:HIS220 4.1 17.8 1.0 ND1 A:HIS220 4.1 45.1 1.0 CG B:HIS220 4.2 14.4 1.0 CG A:HIS220 4.2 12.2 1.0 O C:HOH660 4.5 31.4 1.0 O A:HOH685 4.8 37.8 1.0 O A:HOH446 4.8 27.2 1.0 O B:HOH514 4.8 19.8 1.0 O B:HOH491 5.0 16.1 1.0

M.M.Benning, T.Haller, J.A.Gerlt, H.M.Holden. New Reactions in the Crotonase Superfamily: Structure of Methylmalonyl Coa Decarboxylase From Escherichia Coli. Biochemistry V. 39 4630 2000.
ISSN: ISSN 0006-2960
PubMed: 10769118
DOI: 10.1021/BI9928896