Zinc in PDB 7x1o: Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Double Inhibitors Hf and L95

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

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

Protein crystallography data

The structure of Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Double Inhibitors Hf and L95, PDB code: 7x1o was solved by Y.Manickam, P.Babbar, A.Sharma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.52 / 2.04
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 72.03, 93.73, 87.09, 90, 109.62, 90
R / Rfree (%) 19.4 / 23.7

Other elements in 7x1o:

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

Chlorine (Cl) 2 atoms
Bromine (Br) 4 atoms
Calcium (Ca) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Double Inhibitors Hf and L95 (pdb code 7x1o). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 5 binding sites of Zinc where determined in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Double Inhibitors Hf and L95, PDB code: 7x1o:
Jump to Zinc binding site number: 1; 2; 3; 4; 5;

Zinc binding site 1 out of 5 in 7x1o

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Zinc binding site 1 out of 5 in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Double Inhibitors Hf and L95


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 Double Inhibitors Hf and L95 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1903

b:91.6
occ:0.85
 SG A:CYS1453 2.2 99.0 1.0
SG A:CYS1495 2.3 87.7 1.0
SG A:CYS1497 2.4 95.9 1.0
SG A:CYS1448 2.4 91.7 1.0
CB A:CYS1453 3.0 101.4 1.0
CB A:CYS1497 3.1 97.7 1.0
CB A:CYS1495 3.1 96.2 1.0
CB A:CYS1448 3.5 92.2 1.0
N A:CYS1497 3.9 101.2 1.0
CA A:CYS1497 4.1 105.6 1.0
N A:CYS1448 4.1 87.7 1.0
CE1 A:PHE1447 4.3 74.6 1.0
CD1 A:PHE1447 4.4 81.7 1.0
CA A:CYS1453 4.4 96.9 1.0
CA A:CYS1448 4.4 89.0 1.0
CA A:CYS1495 4.5 102.5 1.0
N A:VAL1496 4.8 100.9 1.0
C A:CYS1495 4.8 100.7 1.0
N A:GLY1449 5.0 89.4 1.0

Zinc binding site 2 out of 5 in 7x1o

Go back to Zinc Binding Sites List in 7x1o
Zinc binding site 2 out of 5 in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Double Inhibitors Hf and L95


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 Double Inhibitors Hf and L95 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1905

b:112.7
occ:0.84
 SG A:CYS1301 2.4 75.5 1.0
OE2 B:GLU1074 3.6 85.4 1.0
CB A:CYS1301 3.7 52.9 1.0
CB A:ALA1055 4.0 43.1 1.0
O A:PRO1051 4.2 40.6 1.0
CE3 A:TRP1052 4.3 47.9 1.0
O B:HOH2098 4.5 79.1 1.0
CZ3 A:TRP1052 4.6 46.1 1.0
O B:HOH2012 4.6 41.4 1.0
C A:PRO1051 4.6 43.1 1.0
CD B:GLU1074 4.8 74.3 1.0
CB A:PRO1051 4.8 42.6 1.0
CA A:TRP1052 5.0 42.9 1.0
CA A:CYS1301 5.0 60.5 1.0

Zinc binding site 3 out of 5 in 7x1o

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Zinc binding site 3 out of 5 in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Double Inhibitors Hf and L95


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 Double Inhibitors Hf and L95 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1908

b:129.5
occ:0.85
 SG B:CYS1301 2.4 65.1 1.0
OE2 A:GLU1074 3.4 75.0 1.0
CB B:CYS1301 3.7 43.1 1.0
O B:PRO1051 3.8 39.3 1.0
CB B:PRO1051 4.1 39.5 1.0
CB B:ALA1055 4.1 38.5 1.0
C B:PRO1051 4.1 43.8 1.0
CD A:GLU1074 4.4 64.8 1.0
CE3 B:TRP1052 4.5 44.2 1.0
N B:TRP1052 4.6 40.0 1.0
CA B:TRP1052 4.6 43.7 1.0
CA B:PRO1051 4.7 42.6 1.0
O A:HOH2057 4.8 56.3 1.0
CZ3 B:TRP1052 4.9 50.5 1.0

Zinc binding site 4 out of 5 in 7x1o

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Zinc binding site 4 out of 5 in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Double Inhibitors Hf and L95


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 Double Inhibitors Hf and L95 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn1903

b:94.7
occ:0.98
 SG B:CYS1495 2.2 87.8 1.0
SG B:CYS1448 2.3 92.6 1.0
SG B:CYS1453 2.3 85.7 1.0
SG B:CYS1497 2.3 96.7 1.0
CB B:CYS1497 3.2 93.0 1.0
CB B:CYS1453 3.2 83.7 1.0
CB B:CYS1448 3.2 92.5 1.0
CB B:CYS1495 3.3 86.5 1.0
N B:CYS1448 3.9 83.6 1.0
N B:CYS1497 4.0 95.3 1.0
CA B:CYS1448 4.2 88.0 1.0
CA B:CYS1497 4.2 95.2 1.0
CE1 B:PHE1447 4.2 72.0 1.0
CD1 B:PHE1447 4.2 76.4 1.0
OD1 B:ASN1500 4.3 110.2 1.0
CA B:CYS1495 4.5 94.5 1.0
C B:CYS1495 4.6 99.9 1.0
CA B:CYS1453 4.7 83.8 1.0
N B:VAL1496 4.9 98.1 1.0
O B:CYS1495 4.9 100.3 1.0
C B:CYS1448 5.0 87.2 1.0

Zinc binding site 5 out of 5 in 7x1o

Go back to Zinc Binding Sites List in 7x1o
Zinc binding site 5 out of 5 in the Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Double Inhibitors Hf and L95


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Homo Sapiens Prolyl-Trna Synthetase (Hsprs) in Complex with Double Inhibitors Hf and L95 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn1908

b:136.0
occ:0.70
 SG B:CYS1377 2.5 87.1 1.0
CB B:CYS1377 3.7 70.9 1.0
N B:CYS1377 4.1 65.6 1.0
C B:SER1376 4.3 67.9 1.0
O B:LYS1375 4.5 76.1 1.0
CA B:CYS1377 4.5 68.7 1.0
CA B:SER1376 4.6 75.5 1.0
O B:SER1376 4.8 71.0 1.0
C B:LYS1375 4.8 76.3 1.0
N B:SER1376 5.0 73.8 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 14:40:30 2024

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