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Cobalt in PDB 4x1c: Crystal Structure of 4-Ot From Pseudomonas Putida Mt-2 with An Enamine Adduct on the N-Terminal Proline at 1.7 Angstrom Resolution

Enzymatic activity of Crystal Structure of 4-Ot From Pseudomonas Putida Mt-2 with An Enamine Adduct on the N-Terminal Proline at 1.7 Angstrom Resolution

All present enzymatic activity of Crystal Structure of 4-Ot From Pseudomonas Putida Mt-2 with An Enamine Adduct on the N-Terminal Proline at 1.7 Angstrom Resolution:
5.3.2.6;

Protein crystallography data

The structure of Crystal Structure of 4-Ot From Pseudomonas Putida Mt-2 with An Enamine Adduct on the N-Terminal Proline at 1.7 Angstrom Resolution, PDB code: 4x1c was solved by A.M.W.H.Thunnissen, H.Poddar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.56 / 1.70
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 55.288, 85.129, 170.907, 90.00, 96.91, 90.00
R / Rfree (%) 19.6 / 22.7

Cobalt Binding Sites:

The binding sites of Cobalt atom in the Crystal Structure of 4-Ot From Pseudomonas Putida Mt-2 with An Enamine Adduct on the N-Terminal Proline at 1.7 Angstrom Resolution (pdb code 4x1c). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Crystal Structure of 4-Ot From Pseudomonas Putida Mt-2 with An Enamine Adduct on the N-Terminal Proline at 1.7 Angstrom Resolution, PDB code: 4x1c:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in 4x1c

Go back to Cobalt Binding Sites List in 4x1c
Cobalt binding site 1 out of 2 in the Crystal Structure of 4-Ot From Pseudomonas Putida Mt-2 with An Enamine Adduct on the N-Terminal Proline at 1.7 Angstrom Resolution


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 4-Ot From Pseudomonas Putida Mt-2 with An Enamine Adduct on the N-Terminal Proline at 1.7 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Co101

b:41.1
occ:1.00
 CO B:NCO101 0.0 41.1 1.0
N2 B:NCO101 2.0 42.7 1.0
N1 B:NCO101 2.0 52.2 1.0
N3 B:NCO101 2.0 55.2 1.0
N6 B:NCO101 2.0 63.2 1.0
N5 B:NCO101 2.0 44.5 1.0
N4 B:NCO101 2.0 32.4 1.0
OE2 B:GLU25 3.7 85.1 1.0
OE1 B:GLU25 4.1 54.6 1.0
CD B:GLU25 4.3 46.6 1.0
OE2 B:GLU22 4.4 50.0 1.0
OE1 B:GLU22 4.4 41.1 1.0
CD B:GLU22 4.8 44.7 1.0

Cobalt binding site 2 out of 2 in 4x1c

Go back to Cobalt Binding Sites List in 4x1c
Cobalt binding site 2 out of 2 in the Crystal Structure of 4-Ot From Pseudomonas Putida Mt-2 with An Enamine Adduct on the N-Terminal Proline at 1.7 Angstrom Resolution


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 4-Ot From Pseudomonas Putida Mt-2 with An Enamine Adduct on the N-Terminal Proline at 1.7 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Co101

b:44.9
occ:1.00
 CO F:NCO101 0.0 44.9 1.0
N6 F:NCO101 2.0 44.0 1.0
N1 F:NCO101 2.0 47.4 1.0
N2 F:NCO101 2.0 80.3 1.0
N3 F:NCO101 2.0 80.7 1.0
N4 F:NCO101 2.0 93.7 1.0
N5 F:NCO101 2.0 53.2 1.0
OE2 F:GLU25 3.5 85.6 1.0
OE1 F:GLU25 4.0 70.9 1.0
CD F:GLU25 4.2 55.4 1.0
OE2 F:GLU22 4.4 54.4 1.0
OE1 F:GLU22 4.4 55.9 1.0
CD F:GLU22 4.9 46.5 1.0

Reference:

H.Poddar, M.Rahimi, E.M.Geertsema, A.M.Thunnissen, G.J.Poelarends. Evidence For the Formation of An Enamine Species During Aldol and Michael-Type Addition Reactions Promiscuously Catalyzed By 4-Oxalocrotonate Tautomerase. Chembiochem 2015.
ISSN: ESSN 1439-7633
PubMed: 25728471
DOI: 10.1002/CBIC.201402687
Page generated: Tue Jul 30 17:36:12 2024

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