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Chlorine in PDB 4aoz: B. Subtilis Dutpase Yncf in Complex with Du, Ppi and Mg (P212121)

Enzymatic activity of B. Subtilis Dutpase Yncf in Complex with Du, Ppi and Mg (P212121)

All present enzymatic activity of B. Subtilis Dutpase Yncf in Complex with Du, Ppi and Mg (P212121):
3.6.1.23;

Protein crystallography data

The structure of B. Subtilis Dutpase Yncf in Complex with Du, Ppi and Mg (P212121), PDB code: 4aoz was solved by J.Timm, J.Garcia-Nafria, C.Harrison, J.P.Turkenburg, K.S.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 56.54 / 2.05
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 70.270, 71.534, 92.299, 90.00, 90.00, 90.00
R / Rfree (%) 15.898 / 21.288

Other elements in 4aoz:

The structure of B. Subtilis Dutpase Yncf in Complex with Du, Ppi and Mg (P212121) also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the B. Subtilis Dutpase Yncf in Complex with Du, Ppi and Mg (P212121) (pdb code 4aoz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the B. Subtilis Dutpase Yncf in Complex with Du, Ppi and Mg (P212121), PDB code: 4aoz:

Chlorine binding site 1 out of 1 in 4aoz

Go back to Chlorine Binding Sites List in 4aoz
Chlorine binding site 1 out of 1 in the B. Subtilis Dutpase Yncf in Complex with Du, Ppi and Mg (P212121)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of B. Subtilis Dutpase Yncf in Complex with Du, Ppi and Mg (P212121) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1147

b:16.4
occ:1.00
 ND1 C:HIS59 3.0 8.8 1.0
O A:HOH2056 3.1 22.0 1.0
O A:HOH2153 3.3 30.3 1.0
CE1 B:HIS59 3.4 14.1 1.0
CE B:MET78 3.7 14.2 1.0
CE1 C:HIS59 3.8 9.0 1.0
CZ2 C:TRP25 3.8 7.6 1.0
CE C:MET116 3.9 28.1 1.0
CH2 C:TRP25 3.9 11.1 1.0
CG C:HIS59 4.0 6.7 1.0
CD C:ARG114 4.0 10.6 1.0
ND1 B:HIS59 4.0 10.5 1.0
CB C:HIS59 4.2 8.1 1.0
NE2 B:HIS59 4.3 11.8 1.0
SD C:MET78 4.3 15.3 1.0
CG C:ARG114 4.4 10.2 1.0
NE C:ARG114 4.5 12.2 1.0
O B:HOH2106 4.5 13.1 1.0
SD B:MET116 4.8 21.8 0.5
O A:HOH2133 4.8 16.1 1.0
SD B:MET78 4.9 14.1 1.0
NE2 C:HIS59 5.0 11.0 1.0

Reference:

J.Garcia-Nafria, J.Timm, C.Harrison, J.P.Turkenburg, K.S.Wilson. Tying Down the Arm in Bacillus Dutpase: Structure and Mechanism Acta Crystallogr.,Sect.D V. 69 1367 2013.
ISSN: ISSN 0907-4449
PubMed: 23897460
DOI: 10.1107/S090744491300735X
Page generated: Sat Dec 12 10:24:04 2020

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