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Cobalt in PDB 3gu2: Y97L/G100-/E101- Mutant in Organophosphorus Hydrolase

Protein crystallography data

The structure of Y97L/G100-/E101- Mutant in Organophosphorus Hydrolase, PDB code: 3gu2 was solved by R.Hawwa, S.Larsen, K.Ratia, A.Mesecar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.00
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 61.072, 61.072, 204.578, 90.00, 90.00, 120.00
R / Rfree (%) 22.1 / 28.4

Cobalt Binding Sites:

The binding sites of Cobalt atom in the Y97L/G100-/E101- Mutant in Organophosphorus Hydrolase (pdb code 3gu2). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Y97L/G100-/E101- Mutant in Organophosphorus Hydrolase, PDB code: 3gu2:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in 3gu2

Go back to Cobalt Binding Sites List in 3gu2
Cobalt binding site 1 out of 2 in the Y97L/G100-/E101- Mutant in Organophosphorus Hydrolase


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Y97L/G100-/E101- Mutant in Organophosphorus Hydrolase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co1

b:27.0
occ:1.00
NE2 A:HIS123 2.1 21.0 1.0
NE2 A:HIS121 2.2 21.4 1.0
OD1 A:ASP364 2.3 17.7 1.0
OQ2 A:KCX243 2.5 31.3 1.0
CE1 A:HIS123 2.9 22.6 1.0
O A:HOH9 3.0 22.3 1.0
CX A:KCX243 3.1 30.8 1.0
CG A:ASP364 3.1 17.7 1.0
OQ1 A:KCX243 3.1 28.1 1.0
CD2 A:HIS123 3.2 22.9 1.0
CE1 A:HIS121 3.2 20.7 1.0
CD2 A:HIS121 3.2 21.9 1.0
OD2 A:ASP364 3.4 22.2 1.0
CO A:CO2 3.4 32.4 1.0
O A:HOH46 4.1 29.5 1.0
ND1 A:HIS123 4.1 22.6 1.0
CG A:HIS123 4.2 23.2 1.0
CE1 A:HIS304 4.3 26.0 1.0
NZ A:KCX243 4.3 33.6 1.0
ND1 A:HIS121 4.3 21.3 1.0
NE2 A:HIS304 4.3 26.2 1.0
CG A:HIS121 4.4 23.0 1.0
CB A:ASP364 4.4 18.3 1.0
CB A:ALA167 4.8 19.9 1.0
CA A:ASP364 4.9 20.8 1.0
CE A:KCX243 4.9 32.7 1.0
O A:HOH671 5.0 50.8 1.0

Cobalt binding site 2 out of 2 in 3gu2

Go back to Cobalt Binding Sites List in 3gu2
Cobalt binding site 2 out of 2 in the Y97L/G100-/E101- Mutant in Organophosphorus Hydrolase


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Y97L/G100-/E101- Mutant in Organophosphorus Hydrolase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co2

b:32.4
occ:1.00
OQ1 A:KCX243 1.8 28.1 1.0
NE2 A:HIS304 2.3 26.2 1.0
O A:HOH46 2.3 29.5 1.0
ND1 A:HIS276 2.3 28.6 1.0
O A:HOH671 2.5 50.8 1.0
CX A:KCX243 3.0 30.8 1.0
CD2 A:HIS304 3.2 26.1 1.0
CE1 A:HIS276 3.2 27.2 1.0
CE1 A:HIS304 3.3 26.0 1.0
CG A:HIS276 3.4 26.9 1.0
O A:HOH9 3.4 22.3 1.0
CO A:CO1 3.4 27.0 1.0
OQ2 A:KCX243 3.6 31.3 1.0
CB A:HIS276 3.7 25.8 1.0
NZ A:KCX243 4.0 33.6 1.0
OD2 A:ASP364 4.3 22.2 1.0
CG A:HIS304 4.3 24.3 1.0
ND1 A:HIS304 4.4 26.6 1.0
O A:HOH632 4.4 49.2 1.0
NE2 A:HIS276 4.4 28.1 1.0
NE2 A:HIS121 4.5 21.4 1.0
CD2 A:HIS276 4.5 28.3 1.0
CE1 A:HIS121 4.5 20.7 1.0
CA A:HIS276 4.6 24.3 1.0
NH1 A:ARG328 4.9 44.3 1.0
CG A:ASP364 4.9 17.7 1.0
OD1 A:ASP364 4.9 17.7 1.0

Reference:

R.Hawwa, S.D.Larsen, K.Ratia, A.D.Mesecar. Structure-Based and Random Mutagenesis Approaches Increase the Organophosphate-Degrading Activity of A Phosphotriesterase Homologue From Deinococcus Radiodurans. J.Mol.Biol. V. 393 36 2009.
ISSN: ISSN 0022-2836
PubMed: 19631223
DOI: 10.1016/J.JMB.2009.06.083
Page generated: Tue Jul 30 16:06:07 2024

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