Zinc in PDB 7x09: Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Inhibitors L95 and Halofuginone

Enzymatic activity of Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Inhibitors L95 and Halofuginone

All present enzymatic activity of Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Inhibitors L95 and Halofuginone:
6.1.1.15; 6.1.1.17;

Protein crystallography data

The structure of Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Inhibitors L95 and Halofuginone, PDB code: 7x09 was solved by Y.Manickam, P.Babbar, P.Pillai, A.Sharma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 51.17 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 71.988, 105.653, 145.493, 90, 90, 90
R / Rfree (%) 19.5 / 22.5

Other elements in 7x09:

The structure of Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Inhibitors L95 and Halofuginone also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms
Calcium (Ca) 3 atoms
Bromine (Br) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Inhibitors L95 and Halofuginone (pdb code 7x09). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Inhibitors L95 and Halofuginone, PDB code: 7x09:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 7x09

Go back to Zinc Binding Sites List in 7x09
Zinc binding site 1 out of 4 in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Inhibitors L95 and Halofuginone


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Inhibitors L95 and Halofuginone within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1903

b:52.9
occ:0.69
 SG A:CYS1448 2.3 58.9 1.0
SG A:CYS1453 2.3 61.7 1.0
SG A:CYS1495 2.3 54.9 1.0
SG A:CYS1497 2.4 72.9 1.0
CB A:CYS1497 3.1 75.0 1.0
CB A:CYS1495 3.2 64.6 1.0
CB A:CYS1453 3.2 57.4 1.0
CB A:CYS1448 3.3 59.8 1.0
ND2 A:ASN1500 4.0 60.9 1.0
N A:CYS1497 4.1 74.0 1.0
N A:CYS1448 4.2 50.7 1.0
CA A:CYS1497 4.2 72.3 1.0
CE1 A:PHE1447 4.3 50.2 1.0
CA A:CYS1448 4.4 55.2 1.0
CD1 A:PHE1447 4.4 55.0 1.0
CB A:ASN1500 4.5 72.8 1.0
CA A:CYS1453 4.6 57.7 1.0
CA A:CYS1495 4.6 68.4 1.0
CG A:ASN1500 4.8 71.0 1.0
N A:VAL1496 5.0 72.8 1.0

Zinc binding site 2 out of 4 in 7x09

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Zinc binding site 2 out of 4 in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Inhibitors L95 and Halofuginone


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Inhibitors L95 and Halofuginone within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1905

b:77.9
occ:0.59
 SG A:CYS1301 2.6 47.2 1.0
OE2 B:GLU1074 3.4 62.7 1.0
CB A:CYS1301 3.8 23.6 1.0
CB A:ALA1055 3.9 25.2 1.0
O B:HOH2292 4.0 50.9 1.0
O A:PRO1051 4.1 25.7 1.0
O B:HOH2103 4.2 30.0 1.0
C A:PRO1051 4.4 24.0 1.0
CB A:PRO1051 4.4 28.9 1.0
CE3 A:TRP1052 4.4 33.1 1.0
CD B:GLU1074 4.5 53.9 1.0
CZ3 A:TRP1052 4.7 33.5 1.0
N A:TRP1052 4.8 23.1 1.0
O B:HOH2144 4.9 37.3 1.0
O A:HOH2202 4.9 52.9 1.0
CG B:GLU1074 4.9 30.7 1.0
CA A:TRP1052 4.9 22.8 1.0
O A:HOH2227 5.0 46.3 1.0

Zinc binding site 3 out of 4 in 7x09

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Zinc binding site 3 out of 4 in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Inhibitors L95 and Halofuginone


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Inhibitors L95 and Halofuginone within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn1903

b:37.8
occ:0.91
 SG B:CYS1453 2.2 36.2 1.0
SG B:CYS1495 2.3 36.1 1.0
SG B:CYS1448 2.3 39.8 1.0
SG B:CYS1497 2.4 48.2 1.0
CB B:CYS1448 3.2 38.4 1.0
CB B:CYS1453 3.2 38.2 1.0
CB B:CYS1497 3.2 46.6 1.0
CB B:CYS1495 3.3 36.7 1.0
N B:CYS1448 3.9 41.0 1.0
CA B:CYS1448 4.1 40.2 1.0
N B:CYS1497 4.2 42.1 1.0
ND2 B:ASN1500 4.2 53.2 1.0
CE1 B:PHE1447 4.3 31.8 1.0
CD1 B:PHE1447 4.3 32.1 1.0
CA B:CYS1497 4.3 40.6 1.0
CA B:CYS1453 4.6 36.9 1.0
CA B:CYS1495 4.7 39.0 1.0
CB B:ASN1500 4.9 54.7 1.0
C B:CYS1448 4.9 40.9 1.0

Zinc binding site 4 out of 4 in 7x09

Go back to Zinc Binding Sites List in 7x09
Zinc binding site 4 out of 4 in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Inhibitors L95 and Halofuginone


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Inhibitors L95 and Halofuginone within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn1905

b:72.3
occ:0.57
 SG B:CYS1301 2.5 45.6 1.0
OE2 A:GLU1074 3.6 57.9 1.0
CB B:CYS1301 3.8 24.2 1.0
O B:PRO1051 3.9 24.3 1.0
CE3 B:TRP1052 4.1 29.3 1.0
CB B:ALA1055 4.1 28.5 1.0
C B:PRO1051 4.2 22.6 1.0
CB B:PRO1051 4.2 30.4 1.0
O A:HOH2088 4.2 31.4 1.0
CZ3 B:TRP1052 4.4 32.5 1.0
N B:TRP1052 4.5 25.0 1.0
CD A:GLU1074 4.5 50.1 1.0
CA B:TRP1052 4.6 24.4 1.0
CA B:PRO1051 4.8 24.9 1.0
O B:HOH2245 5.0 41.7 1.0

Reference:

Y.Manickam, P.Babbar, A.Sharma. Crystal Structure of Homo Sapiens Prolyl-Trna Synthetase (Hsprs) with Double Inhibitors (Hf and L95) To Be Published.
Page generated: Wed Oct 30 14:40:04 2024

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