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Chlorine in PDB 1v16: Crosstalk Between Cofactor Binding and the Phosphorylation Loop Conformation in the Bckd Machine

Enzymatic activity of Crosstalk Between Cofactor Binding and the Phosphorylation Loop Conformation in the Bckd Machine

All present enzymatic activity of Crosstalk Between Cofactor Binding and the Phosphorylation Loop Conformation in the Bckd Machine:
1.2.4.4;

Protein crystallography data

The structure of Crosstalk Between Cofactor Binding and the Phosphorylation Loop Conformation in the Bckd Machine, PDB code: 1v16 was solved by J.Li, R.M.Wynn, M.Machius, J.L.Chuang, S.Karthikeyan, D.R.Tomchick, D.T.Chuang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.33 / 1.90
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 145.397, 145.397, 69.104, 90.00, 90.00, 120.00
R / Rfree (%) 13.1 / 17

Other elements in 1v16:

The structure of Crosstalk Between Cofactor Binding and the Phosphorylation Loop Conformation in the Bckd Machine also contains other interesting chemical elements:

Potassium (K) 2 atoms
Manganese (Mn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crosstalk Between Cofactor Binding and the Phosphorylation Loop Conformation in the Bckd Machine (pdb code 1v16). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crosstalk Between Cofactor Binding and the Phosphorylation Loop Conformation in the Bckd Machine, PDB code: 1v16:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 1v16

Go back to Chlorine Binding Sites List in 1v16
Chlorine binding site 1 out of 4 in the Crosstalk Between Cofactor Binding and the Phosphorylation Loop Conformation in the Bckd Machine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crosstalk Between Cofactor Binding and the Phosphorylation Loop Conformation in the Bckd Machine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:30.8
occ:1.00
 NE2 B:HIS146 3.1 12.5 1.0
OH B:TYR102 3.2 9.2 1.0
CE1 B:HIS146 3.9 18.5 1.0
CD2 B:HIS146 4.2 12.2 1.0
CZ B:TYR102 4.2 10.2 1.0
O B:HOH2090 4.3 34.0 1.0
CE2 B:TYR102 4.4 7.6 1.0

Chlorine binding site 2 out of 4 in 1v16

Go back to Chlorine Binding Sites List in 1v16
Chlorine binding site 2 out of 4 in the Crosstalk Between Cofactor Binding and the Phosphorylation Loop Conformation in the Bckd Machine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crosstalk Between Cofactor Binding and the Phosphorylation Loop Conformation in the Bckd Machine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl505

b:61.8
occ:1.00
 NE1 B:TRP330 3.7 25.3 1.0
NZ B:LYS329 4.1 25.3 1.0
CE B:LYS329 4.1 24.0 1.0
CZ2 B:TRP330 4.2 22.6 1.0
CE2 B:TRP330 4.3 20.4 1.0
CD1 B:TRP330 4.9 21.6 1.0

Chlorine binding site 3 out of 4 in 1v16

Go back to Chlorine Binding Sites List in 1v16
Chlorine binding site 3 out of 4 in the Crosstalk Between Cofactor Binding and the Phosphorylation Loop Conformation in the Bckd Machine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crosstalk Between Cofactor Binding and the Phosphorylation Loop Conformation in the Bckd Machine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl506

b:73.2
occ:1.00
 NH2 B:ARG55 3.8 31.6 1.0
NH1 B:ARG55 3.8 28.5 1.0
CZ B:ARG55 4.2 29.5 1.0

Chlorine binding site 4 out of 4 in 1v16

Go back to Chlorine Binding Sites List in 1v16
Chlorine binding site 4 out of 4 in the Crosstalk Between Cofactor Binding and the Phosphorylation Loop Conformation in the Bckd Machine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crosstalk Between Cofactor Binding and the Phosphorylation Loop Conformation in the Bckd Machine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl507

b:54.6
occ:1.00
 C6 A:BEN701 3.4 47.8 1.0
CB A:GLU76 3.9 16.7 1.0
C5 A:BEN701 4.0 48.5 1.0
CG A:GLU76 4.0 17.2 1.0
N2 A:BEN701 4.2 46.0 1.0
O A:ARG72 4.4 15.4 1.0
CA A:ILE73 4.4 16.3 1.0
CG1 A:ILE73 4.5 21.6 1.0
C1 A:BEN701 4.5 47.2 1.0
C A:BEN701 4.7 45.9 1.0
C A:ARG72 4.9 15.2 1.0
N A:ILE73 4.9 15.7 1.0

Reference:

J.Li, R.M.Wynn, M.Machius, J.L.Chuang, S.Karthikeyan, D.R.Tomchick, D.T.Chuang. Cross-Talk Between Thiamin Diphosphate Binding and Phosphorylation Loop Conformation in Human Branched-Chain {Alpha}-Keto Acid Decarboxylase/Dehydrogenase J.Biol.Chem. V. 279 32968 2004.
ISSN: ISSN 0021-9258
PubMed: 15166214
DOI: 10.1074/JBC.M403611200
Page generated: Sat Jul 20 02:54:54 2024

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