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Chlorine in PDB 2big: Radiation Damage of the Schiff Base in Phosphoserine Aminotransferase (Structure I)

Enzymatic activity of Radiation Damage of the Schiff Base in Phosphoserine Aminotransferase (Structure I)

All present enzymatic activity of Radiation Damage of the Schiff Base in Phosphoserine Aminotransferase (Structure I):
2.6.1.52;

Protein crystallography data

The structure of Radiation Damage of the Schiff Base in Phosphoserine Aminotransferase (Structure I), PDB code: 2big was solved by A.P.Dubnovitsky, R.B.G.Ravelli, A.N.Popov, A.C.Papageorgiou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 12.00 / 1.30
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 143.801, 84.297, 67.264, 90.00, 90.00, 90.00
R / Rfree (%) 11.5 / 15.6

Other elements in 2big:

The structure of Radiation Damage of the Schiff Base in Phosphoserine Aminotransferase (Structure I) also contains other interesting chemical elements:

Magnesium (Mg) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Radiation Damage of the Schiff Base in Phosphoserine Aminotransferase (Structure I) (pdb code 2big). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Radiation Damage of the Schiff Base in Phosphoserine Aminotransferase (Structure I), PDB code: 2big:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 2big

Go back to Chlorine Binding Sites List in 2big
Chlorine binding site 1 out of 4 in the Radiation Damage of the Schiff Base in Phosphoserine Aminotransferase (Structure I)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Radiation Damage of the Schiff Base in Phosphoserine Aminotransferase (Structure I) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1364

b:10.6
occ:1.00
 O A:HOH2212 3.1 10.5 1.0
N A:SER101 3.3 11.5 1.0
N A:ILE153 3.3 9.7 1.0
C A:ASN151 3.5 8.6 1.0
N A:THR152 3.6 9.0 1.0
CB A:ILE153 3.6 10.9 1.0
N A:TRP102 3.6 10.4 1.0
CA A:ASN151 3.7 9.2 1.0
CD1 A:TRP102 3.7 9.4 1.0
CB A:ASN151 3.7 9.1 1.0
CA A:GLY100 3.7 11.6 1.0
CD1 A:TYR154 3.8 12.0 1.0
C A:GLY100 3.8 10.6 1.0
CA A:ILE153 4.0 10.1 1.0
O A:ASN151 4.0 9.7 1.0
N A:TYR154 4.0 10.3 1.0
CA A:SER101 4.2 12.4 1.0
CG1 A:ILE153 4.2 12.2 1.0
CB A:SER101 4.2 15.8 1.0
CG A:TRP102 4.3 9.4 1.0
CB A:TRP102 4.3 10.7 1.0
C A:THR152 4.3 9.2 1.0
C A:SER101 4.4 10.1 1.0
CD1 A:ILE153 4.4 14.2 1.0
CE1 A:TYR154 4.5 14.2 1.0
CA A:THR152 4.5 9.1 1.0
C A:ILE153 4.5 9.9 1.0
CA A:TRP102 4.6 10.0 1.0
OD1 A:ASN151 4.6 9.9 1.0
NE1 A:TRP102 4.6 10.7 1.0
CG2 A:ILE153 4.7 13.3 1.0
CG A:ASN151 4.7 9.3 1.0
CG A:TYR154 4.7 11.2 1.0
CB A:TYR154 4.8 10.7 1.0
N A:GLY100 4.8 11.0 1.0
O A:GLY100 4.9 11.4 1.0
CB A:THR152 5.0 9.7 1.0

Chlorine binding site 2 out of 4 in 2big

Go back to Chlorine Binding Sites List in 2big
Chlorine binding site 2 out of 4 in the Radiation Damage of the Schiff Base in Phosphoserine Aminotransferase (Structure I)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Radiation Damage of the Schiff Base in Phosphoserine Aminotransferase (Structure I) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1365

b:17.7
occ:1.00
 O A:HOH2017 2.8 31.5 1.0
NH1 A:ARG334 3.2 11.0 1.0
NE1 A:TRP102 3.3 10.7 1.0
O A:HOH2396 3.5 37.7 1.0
CG1 A:ILE153 3.7 12.2 1.0
CG2 A:THR152 3.7 9.0 1.0
CB A:THR152 3.8 9.7 1.0
O A:HOH2248 3.9 33.4 1.0
CZ2 A:TRP102 3.9 12.1 1.0
CE2 A:TRP102 4.0 10.8 1.0
NH2 A:ARG334 4.0 11.5 1.0
CZ A:ARG334 4.0 10.0 1.0
CD1 A:ILE153 4.2 14.2 1.0
CD2 A:HIS327 4.2 17.6 1.0
CD1 A:TRP102 4.4 9.4 1.0
C4A A:PLP1361 4.4 19.8 1.0
O3 A:PLP1361 4.5 12.1 1.0
NZ A:LYS196 4.6 35.8 1.0
N A:ILE153 4.7 9.7 1.0
C A:THR152 4.7 9.2 1.0
OG1 A:THR152 4.7 9.0 1.0
NE2 A:HIS327 4.8 19.2 1.0
CA A:THR152 5.0 9.1 1.0
O A:THR152 5.0 9.8 1.0
CB A:ILE153 5.0 10.9 1.0
CG A:HIS327 5.0 17.3 1.0

Chlorine binding site 3 out of 4 in 2big

Go back to Chlorine Binding Sites List in 2big
Chlorine binding site 3 out of 4 in the Radiation Damage of the Schiff Base in Phosphoserine Aminotransferase (Structure I)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Radiation Damage of the Schiff Base in Phosphoserine Aminotransferase (Structure I) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1365

b:10.9
occ:1.00
 O B:HOH2229 3.1 10.4 1.0
N B:SER101 3.3 11.1 1.0
N B:ILE153 3.3 10.4 1.0
C B:ASN151 3.5 9.1 1.0
N B:THR152 3.6 9.0 1.0
N B:TRP102 3.6 11.1 1.0
CD1 B:TRP102 3.6 11.1 1.0
CA B:ASN151 3.6 9.3 1.0
CB B:ILE153 3.7 10.8 1.0
CB B:ASN151 3.7 9.8 1.0
CD1 B:TYR154 3.8 11.6 1.0
CA B:GLY100 3.8 11.3 1.0
C B:GLY100 3.9 10.9 1.0
O B:ASN151 4.0 10.3 1.0
CA B:ILE153 4.0 10.0 1.0
N B:TYR154 4.1 10.3 1.0
CA B:SER101 4.2 12.3 1.0
CG1 B:ILE153 4.2 12.6 1.0
CG B:TRP102 4.3 10.4 1.0
CB B:SER101 4.3 17.8 1.0
CB B:TRP102 4.3 10.4 1.0
C B:THR152 4.3 9.4 1.0
C B:SER101 4.4 11.4 1.0
CA B:THR152 4.4 9.3 1.0
CD1 B:ILE153 4.4 14.9 1.0
CE1 B:TYR154 4.5 13.6 1.0
C B:ILE153 4.5 10.1 1.0
CA B:TRP102 4.6 10.3 1.0
OD1 B:ASN151 4.6 9.8 1.0
NE1 B:TRP102 4.6 10.6 1.0
CG B:ASN151 4.7 9.6 1.0
CG2 B:ILE153 4.7 13.1 1.0
CG B:TYR154 4.7 11.4 1.0
CB B:TYR154 4.8 11.3 1.0
N B:GLY100 4.8 11.1 1.0
O B:GLY100 4.9 12.4 1.0
CB B:THR152 4.9 9.3 1.0

Chlorine binding site 4 out of 4 in 2big

Go back to Chlorine Binding Sites List in 2big
Chlorine binding site 4 out of 4 in the Radiation Damage of the Schiff Base in Phosphoserine Aminotransferase (Structure I)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Radiation Damage of the Schiff Base in Phosphoserine Aminotransferase (Structure I) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1366

b:19.5
occ:1.00
 O B:HOH2021 2.7 23.5 1.0
O B:HOH2405 2.9 35.2 1.0
NH1 B:ARG334 3.1 11.2 1.0
NE1 B:TRP102 3.2 10.6 1.0
O B:HOH2412 3.5 33.5 1.0
CG1 B:ILE153 3.6 12.6 1.0
CG2 B:THR152 3.7 10.9 1.0
CB B:THR152 3.9 9.3 1.0
CE2 B:TRP102 3.9 10.8 1.0
NH2 B:ARG334 4.0 11.8 1.0
CZ2 B:TRP102 4.0 12.1 1.0
CZ B:ARG334 4.0 10.6 1.0
CD1 B:ILE153 4.1 14.9 1.0
O B:HOH2022 4.3 44.0 1.0
CD2 B:HIS327 4.4 20.9 1.0
CD1 B:TRP102 4.4 11.1 1.0
NZ B:LYS196 4.5 26.5 1.0
O3 B:PLP1361 4.6 14.0 1.0
N B:ILE153 4.6 10.4 1.0
C B:THR152 4.6 9.4 1.0
O B:HOH2013 4.7 46.9 1.0
OG1 B:THR152 4.8 9.9 1.0
C4A B:PLP1361 4.8 20.4 1.0
O B:THR152 4.9 10.1 1.0
CB B:ILE153 4.9 10.8 1.0
CA B:THR152 4.9 9.3 1.0
CA B:ILE153 4.9 10.0 1.0

Reference:

A.P.Dubnovitsky, R.B.G.Ravelli, A.N.Popov, A.C.Papageorgiou. Strain Relief at the Active Site of Phosphoserine Aminotransferase Induced By Radiation Damage. Protein Sci. V. 14 1498 2005.
ISSN: ISSN 0961-8368
PubMed: 15883191
DOI: 10.1110/PS.051397905
Page generated: Sat Jul 20 05:45:47 2024

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