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Chlorine in PDB 6i58: Allosteric Activation of Human Prekallikrein By Apple Domain Disc Rotation

Enzymatic activity of Allosteric Activation of Human Prekallikrein By Apple Domain Disc Rotation

All present enzymatic activity of Allosteric Activation of Human Prekallikrein By Apple Domain Disc Rotation:
3.4.21.27;

Protein crystallography data

The structure of Allosteric Activation of Human Prekallikrein By Apple Domain Disc Rotation, PDB code: 6i58 was solved by C.Li, M.Pathak, K.Mccrae, I.Dreveny, J.Emsley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.71 / 2.60
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 80.760, 80.760, 251.060, 90.00, 90.00, 90.00
R / Rfree (%) 20.8 / 28

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Allosteric Activation of Human Prekallikrein By Apple Domain Disc Rotation (pdb code 6i58). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Allosteric Activation of Human Prekallikrein By Apple Domain Disc Rotation, PDB code: 6i58:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 6i58

Go back to Chlorine Binding Sites List in 6i58
Chlorine binding site 1 out of 5 in the Allosteric Activation of Human Prekallikrein By Apple Domain Disc Rotation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Allosteric Activation of Human Prekallikrein By Apple Domain Disc Rotation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl701

b:89.5
occ:1.00
 OD2 A:ASP289 3.8 63.1 1.0
CB A:ASP289 4.2 56.9 1.0
CB A:ALA306 4.4 57.3 1.0
CG A:ASP289 4.4 60.5 1.0
CG A:LEU288 4.8 72.9 1.0
CD1 A:LEU330 4.8 45.9 1.0
CD2 A:LEU288 4.9 78.2 1.0
O A:HOH860 5.0 61.4 1.0

Chlorine binding site 2 out of 5 in 6i58

Go back to Chlorine Binding Sites List in 6i58
Chlorine binding site 2 out of 5 in the Allosteric Activation of Human Prekallikrein By Apple Domain Disc Rotation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Allosteric Activation of Human Prekallikrein By Apple Domain Disc Rotation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl702

b:80.0
occ:1.00
 NH1 A:ARG308 3.2 48.4 1.0
NH2 A:ARG308 4.1 43.0 1.0
CZ A:ARG308 4.1 43.5 1.0
O A:HOH816 4.1 0.2 1.0
CD1 A:LEU288 4.3 80.2 1.0
OE2 A:GLU286 4.4 62.8 1.0
CD2 A:LEU332 4.5 47.6 1.0
CG2 A:VAL64 4.7 68.1 1.0
O A:GLU287 4.9 43.9 1.0

Chlorine binding site 3 out of 5 in 6i58

Go back to Chlorine Binding Sites List in 6i58
Chlorine binding site 3 out of 5 in the Allosteric Activation of Human Prekallikrein By Apple Domain Disc Rotation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Allosteric Activation of Human Prekallikrein By Apple Domain Disc Rotation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl703

b:90.9
occ:1.00
 NE2 A:HIS274 3.7 64.1 1.0
NE2 A:HIS214 3.8 84.2 1.0
CE1 A:HIS214 4.1 85.3 1.0
CD2 A:HIS274 4.4 76.5 1.0
CD1 A:LEU355 4.4 95.7 1.0
O A:GLY336 4.5 48.0 1.0
CG1 A:ILE211 4.6 51.3 1.0
CE1 A:HIS274 4.7 67.9 1.0
CD1 A:ILE211 4.8 47.5 1.0
CD2 A:HIS214 5.0 79.6 1.0

Chlorine binding site 4 out of 5 in 6i58

Go back to Chlorine Binding Sites List in 6i58
Chlorine binding site 4 out of 5 in the Allosteric Activation of Human Prekallikrein By Apple Domain Disc Rotation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Allosteric Activation of Human Prekallikrein By Apple Domain Disc Rotation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl704

b:89.0
occ:1.00
 CD2 A:LEU148 4.4 93.0 1.0
CG2 A:VAL166 4.4 80.7 1.0
CB A:ALA134 4.5 64.5 1.0
CZ A:PHE138 4.6 70.4 1.0
CD2 A:LEU163 4.7 75.2 1.0
CE2 A:PHE138 4.8 74.2 1.0

Chlorine binding site 5 out of 5 in 6i58

Go back to Chlorine Binding Sites List in 6i58
Chlorine binding site 5 out of 5 in the Allosteric Activation of Human Prekallikrein By Apple Domain Disc Rotation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Allosteric Activation of Human Prekallikrein By Apple Domain Disc Rotation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl705

b:95.2
occ:1.00
 N A:ALA205 3.8 59.9 1.0
CB A:ASP204 3.9 58.5 1.0
CB A:ALA205 4.2 60.3 1.0
CD1 A:LEU257 4.3 83.8 1.0
CA A:ASP204 4.3 55.7 1.0
CE2 A:PHE223 4.4 52.0 1.0
C A:ASP204 4.6 57.0 1.0
CA A:ALA205 4.7 61.4 1.0
CD2 A:PHE223 4.8 55.8 1.0

Reference:

C.Li, K.M.Voos, M.Pathak, G.Hall, K.R.Mccrae, I.Dreveny, R.Li, J.Emsley. Plasma Kallikrein Structure Reveals Apple Domain Disc Rotated Conformation Compared to Factor XI. J.Thromb.Haemost. V. 17 759 2019.
ISSN: ESSN 1538-7836
PubMed: 30801944
DOI: 10.1111/JTH.14418
Page generated: Sun Jul 28 01:33:28 2024

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