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Chlorine in PDB 3th2: MG2+ Is Required For Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors at Physiological CA2+

Enzymatic activity of MG2+ Is Required For Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors at Physiological CA2+

All present enzymatic activity of MG2+ Is Required For Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors at Physiological CA2+:
3.4.21.21;

Protein crystallography data

The structure of MG2+ Is Required For Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors at Physiological CA2+, PDB code: 3th2 was solved by K.Vadivel, S.Agah, D.Cascio, K.Padmanabhan, S.P.Bajaj, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 61.20 / 1.72
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 69.940, 80.874, 126.430, 90.00, 90.00, 90.00
R / Rfree (%) 18.9 / 23.3

Other elements in 3th2:

The structure of MG2+ Is Required For Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors at Physiological CA2+ also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms
Calcium (Ca) 6 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the MG2+ Is Required For Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors at Physiological CA2+ (pdb code 3th2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the MG2+ Is Required For Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors at Physiological CA2+, PDB code: 3th2:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3th2

Go back to Chlorine Binding Sites List in 3th2
Chlorine binding site 1 out of 2 in the MG2+ Is Required For Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors at Physiological CA2+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of MG2+ Is Required For Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors at Physiological CA2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl14

b:24.4
occ:1.00
N H:ARG84 3.2 16.8 1.0
O H:HOH305 3.4 27.1 1.0
CA H:ARG83 3.8 14.3 1.0
CD H:ARG83 3.8 13.0 1.0
CB H:HIS109 3.9 20.2 1.0
NH2 H:ARG84 3.9 53.2 1.0
CD2 H:HIS109 3.9 31.2 1.0
CG H:GLN110 4.0 20.6 1.0
CB H:ARG84 4.0 19.9 1.0
C H:ARG83 4.0 15.6 1.0
CB H:GLN110 4.0 18.1 1.0
N H:GLN110 4.1 18.1 1.0
CB H:ARG83 4.1 13.8 1.0
CG H:ARG84 4.2 23.9 1.0
CA H:ARG84 4.2 17.3 1.0
CG H:HIS109 4.3 28.6 1.0
O H:ARG84 4.5 14.2 1.0
CG H:ARG83 4.6 16.1 1.0
C H:HIS109 4.7 19.8 1.0
CA H:GLN110 4.7 17.5 1.0
CZ H:ARG84 4.7 50.8 1.0
CA H:HIS109 4.7 19.5 1.0
O H:SER82 4.8 14.7 1.0
C H:ARG84 4.9 16.3 1.0
N H:HIS109 4.9 17.3 1.0
O H:HOH543 4.9 30.4 1.0
NE H:ARG83 5.0 14.0 1.0

Chlorine binding site 2 out of 2 in 3th2

Go back to Chlorine Binding Sites List in 3th2
Chlorine binding site 2 out of 2 in the MG2+ Is Required For Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors at Physiological CA2+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of MG2+ Is Required For Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors at Physiological CA2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
T:Cl211

b:19.9
occ:1.00
OH T:TYR153 3.0 16.6 1.0
O T:HOH368 3.2 31.7 1.0
N T:GLU130 3.3 20.6 1.0
N T:ARG144 3.3 18.6 1.0
ND2 T:ASN173 3.5 20.3 1.0
N T:LEU143 3.8 16.5 1.0
CB T:ARG144 3.8 19.3 1.0
CB T:SER142 3.8 19.2 1.0
CA T:ASP129 3.9 22.1 1.0
CB T:LEU143 3.9 18.4 1.0
C T:ASP129 4.0 21.8 1.0
CZ T:TYR153 4.0 19.2 1.0
OD1 T:ASN173 4.1 20.1 1.0
O T:GLU130 4.1 21.1 1.0
OG T:SER142 4.1 22.0 1.0
CE2 T:TYR153 4.1 17.6 1.0
CA T:ARG144 4.2 19.1 1.0
CA T:LEU143 4.2 17.4 1.0
CG T:ASN173 4.2 21.1 1.0
CA T:GLU130 4.2 20.6 1.0
CB T:GLU130 4.2 20.2 1.0
C T:LEU143 4.2 17.4 1.0
CD2 T:LEU151 4.3 14.6 1.0
CB T:ASP129 4.5 23.2 1.0
C T:SER142 4.5 18.6 1.0
OD1 T:ASP129 4.6 31.0 1.0
C T:GLU130 4.6 22.1 1.0
CA T:SER142 4.7 18.4 1.0
O T:GLU128 4.8 18.8 1.0
CG T:GLU130 4.8 21.0 1.0
CG T:ASP129 4.9 29.7 1.0

Reference:

K.Vadivel, S.Agah, A.Messer, D.Cascio, M.S Bajaj, S.Krishnaswamy, C.T Esmon, K.Padmanabhan, S.P.Bajaj. MG2+ Is Required For Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors at Physiological CA2+ To Be Published.
Page generated: Sun Jul 21 05:11:27 2024

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