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Chlorine in PDB 3th4: 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: 3th4 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) 68.36 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 69.919, 81.230, 126.534, 90.00, 90.00, 90.00
R / Rfree (%) 20.4 / 23.5

Other elements in 3th4:

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) 2 atoms
Calcium (Ca) 7 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 3th4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 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: 3th4:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 3th4

Go back to Chlorine Binding Sites List in 3th4
Chlorine binding site 1 out of 3 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:Cl303

b:26.8
occ:1.00
 O H:GLY219 2.4 15.3 1.0
O H:GLY216 2.6 10.7 1.0
NE L:0GE211 3.0 9.9 1.0
O L:0GE211 3.2 12.9 1.0
C H:GLY216 3.4 9.5 1.0
C H:GLY219 3.4 15.9 1.0
CG1 L:0GE211 3.5 11.6 1.0
N H:GLY216 3.6 8.5 1.0
NH2 L:0GE211 3.7 8.9 1.0
N H:GLY219 3.7 13.6 1.0
CZ L:0GE211 3.8 12.2 1.0
CA H:GLY216 3.8 10.3 1.0
OE2 L:0GE211 3.9 29.3 1.0
CD1 L:0GE211 3.9 8.3 1.0
CA H:GLY219 4.0 17.1 1.0
SG H:CYS220 4.0 21.6 1.0
C L:0GE211 4.1 16.8 1.0
CB L:0GE211 4.2 20.9 1.0
C H:GLN217 4.2 13.7 1.0
N H:GLN217 4.3 10.9 1.0
CA L:0GE211 4.5 17.4 1.0
N H:CYS220 4.6 13.8 1.0
N L:0GE211 4.6 18.3 1.0
CA H:GLN217 4.7 11.9 1.0
C H:TRP215 4.7 9.7 1.0
O H:GLN217 4.9 16.0 1.0
N H:LYS192 4.9 10.7 1.0
CB1 L:0GE211 4.9 11.0 1.0
O1 L:0GE211 4.9 17.1 1.0
CD L:0GE211 4.9 33.3 1.0
C1 L:0GE211 4.9 13.2 1.0

Chlorine binding site 2 out of 3 in 3th4

Go back to Chlorine Binding Sites List in 3th4
Chlorine binding site 2 out of 3 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
H:Cl304

b:21.4
occ:1.00
 N H:ARG84 3.2 13.6 1.0
O H:HOH422 3.4 26.8 1.0
CD H:ARG83 3.7 9.1 1.0
CA H:ARG83 3.8 13.1 1.0
CD2 H:HIS109 3.8 29.9 1.0
CB H:HIS109 3.9 19.4 1.0
N H:GLN110 4.0 16.6 1.0
C H:ARG83 4.0 15.0 1.0
CB H:ARG84 4.0 17.7 1.0
CG H:GLN110 4.1 16.2 1.0
CB H:ARG83 4.1 12.4 1.0
CG H:HIS109 4.2 26.7 1.0
CA H:ARG84 4.2 15.1 1.0
NE H:ARG84 4.2 44.5 1.0
CB H:GLN110 4.2 15.9 1.0
CG H:ARG84 4.2 24.9 1.0
C H:HIS109 4.6 18.7 1.0
O H:ARG84 4.6 14.4 1.0
CG H:ARG83 4.6 9.7 1.0
CA H:HIS109 4.7 18.1 1.0
O H:HOH574 4.8 30.8 1.0
CA H:GLN110 4.8 14.6 1.0
O H:SER82 4.9 14.0 1.0
NE H:ARG83 4.9 10.8 1.0
CD H:ARG84 4.9 36.4 1.0
C H:ARG84 4.9 15.1 1.0
N H:HIS109 4.9 16.6 1.0
O H:GLN110 5.0 12.2 1.0
N H:ARG83 5.0 12.6 1.0

Chlorine binding site 3 out of 3 in 3th4

Go back to Chlorine Binding Sites List in 3th4
Chlorine binding site 3 out of 3 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 3 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
L:Cl212

b:16.4
occ:1.00
 OH T:TYR153 3.0 13.9 1.0
N T:ARG144 3.3 14.0 1.0
N T:GLU130 3.3 15.0 1.0
ND2 T:ASN173 3.4 12.6 1.0
CB T:ARG144 3.7 15.8 1.0
CA T:ASP129 3.8 16.9 1.0
N T:LEU143 3.8 13.9 1.0
CB T:LEU143 3.9 15.3 1.0
CB T:SER142 3.9 14.9 1.0
CZ T:TYR153 4.0 16.8 1.0
CE2 T:TYR153 4.0 13.8 1.0
OD1 T:ASN173 4.1 15.9 1.0
C T:ASP129 4.1 16.9 1.0
CA T:ARG144 4.1 14.5 1.0
C T:LEU143 4.2 14.3 1.0
CG T:ASN173 4.2 14.4 1.0
CA T:LEU143 4.2 15.5 1.0
CD2 T:LEU151 4.3 10.0 1.0
OG T:SER142 4.3 15.6 1.0
CB T:GLU130 4.3 15.2 1.0
CA T:GLU130 4.3 15.2 1.0
O T:GLU130 4.4 16.9 1.0
CB T:ASP129 4.5 17.9 1.0
C T:SER142 4.6 13.9 1.0
O T:GLU128 4.6 17.4 1.0
OD1 T:ASP129 4.7 24.1 1.0
CG T:GLU130 4.8 17.8 1.0
C T:GLU130 4.8 16.3 1.0
CA T:SER142 4.8 14.8 1.0
CG T:ASP129 4.9 22.6 1.0
N T:ASP129 5.0 16.4 1.0

Reference:

K.Vadivel, S.Agah, A.Messer, D.Cascio, S.M.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: Fri Jul 11 10:44:05 2025

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