Chlorine in PDB 8ay9: X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB9-HAB1 Ternary Complex

Enzymatic activity of X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB9-HAB1 Ternary Complex

All present enzymatic activity of X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB9-HAB1 Ternary Complex:
3.1.3.16;

Protein crystallography data

The structure of X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB9-HAB1 Ternary Complex, PDB code: 8ay9 was solved by L.Infantes, A.Albert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.28 / 2.28
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 42.763, 62.923, 187.01, 90, 90, 90
R / Rfree (%) 20.3 / 26

Other elements in 8ay9:

The structure of X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB9-HAB1 Ternary Complex also contains other interesting chemical elements:

Manganese (Mn) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB9-HAB1 Ternary Complex (pdb code 8ay9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB9-HAB1 Ternary Complex, PDB code: 8ay9:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 8ay9

Go back to Chlorine Binding Sites List in 8ay9
Chlorine binding site 1 out of 6 in the X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB9-HAB1 Ternary Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB9-HAB1 Ternary Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl605

b:84.5
occ:1.00
 NH2 B:ARG449 2.9 37.5 1.0
NE B:ARG449 3.3 42.8 1.0
CZ B:ARG449 3.5 44.0 1.0
CG2 B:ILE446 3.8 43.2 1.0
NE B:ARG450 4.0 59.9 1.0
CA B:ILE446 4.1 38.2 1.0
CG1 B:ILE446 4.1 52.7 1.0
CB B:ARG449 4.2 40.3 1.0
CB B:ILE446 4.2 41.0 1.0
NH2 B:ARG450 4.3 61.3 1.0
CE2 B:TYR480 4.3 56.9 1.0
O B:ILE446 4.5 53.5 1.0
CD B:ARG449 4.6 43.4 1.0
CZ B:ARG450 4.6 63.3 1.0
NH1 B:ARG449 4.7 33.7 1.0
CG B:ARG450 4.7 46.0 1.0
CD1 B:ILE446 4.8 63.2 1.0
C B:ILE446 4.8 45.8 1.0
CD2 B:TYR480 4.9 49.4 1.0
CZ B:TYR480 5.0 49.3 1.0
CD B:ARG450 5.0 47.6 1.0
OH B:TYR480 5.0 60.7 1.0
CG B:ARG449 5.0 50.4 1.0

Chlorine binding site 2 out of 6 in 8ay9

Go back to Chlorine Binding Sites List in 8ay9
Chlorine binding site 2 out of 6 in the X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB9-HAB1 Ternary Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB9-HAB1 Ternary Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl606

b:67.0
occ:1.00
 OG B:SER200 3.2 52.7 1.0
N B:SER200 3.2 57.5 1.0
O B:HOH729 3.4 42.4 1.0
CD B:ARG199 3.6 67.0 1.0
CA B:ARG199 3.8 50.5 1.0
CB B:SER200 3.8 49.0 1.0
C B:ARG199 4.0 60.1 1.0
CA B:SER200 4.1 43.0 1.0
CB B:ARG199 4.3 47.5 1.0
O B:ASN198 4.5 62.2 1.0
NE B:ARG199 4.5 81.6 1.0
CG B:ARG199 4.6 53.3 1.0
N B:ARG199 4.9 55.6 1.0
N B:GLU201 5.0 56.1 1.0

Chlorine binding site 3 out of 6 in 8ay9

Go back to Chlorine Binding Sites List in 8ay9
Chlorine binding site 3 out of 6 in the X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB9-HAB1 Ternary Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB9-HAB1 Ternary Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl607

b:115.8
occ:1.00
 CA B:TRP454 3.8 56.0 1.0
CE B:LYS457 3.8 84.8 1.0
N B:TRP454 4.0 55.5 1.0
O B:MET453 4.1 55.3 1.0
C B:MET453 4.2 62.3 1.0
CD1 B:TRP454 4.2 50.1 1.0
CB B:TRP454 4.3 50.7 1.0
CG B:MET453 4.4 80.8 1.0
NZ B:LYS457 4.4 79.3 1.0
CG B:LYS457 4.5 63.8 1.0
CG B:TRP454 4.6 50.6 1.0
CD B:LYS457 4.6 81.9 1.0
CB B:MET453 4.6 53.5 1.0
SD B:MET453 4.8 80.2 1.0
CB B:LYS457 4.8 57.2 1.0
ND2 B:ASN458 4.9 66.3 1.0
C B:TRP454 5.0 48.5 1.0

Chlorine binding site 4 out of 6 in 8ay9

Go back to Chlorine Binding Sites List in 8ay9
Chlorine binding site 4 out of 6 in the X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB9-HAB1 Ternary Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB9-HAB1 Ternary Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl608

b:55.5
occ:1.00
 N B:HIS248 3.1 45.5 1.0
CG B:LYS249 3.2 57.9 1.0
CA B:GLY247 3.3 49.6 1.0
CD B:LYS249 3.4 64.0 1.0
N B:LYS249 3.5 57.1 1.0
C B:GLY247 3.5 51.5 1.0
CB B:LYS249 3.7 48.6 1.0
CG2 B:VAL325 4.1 57.4 1.0
CD2 B:HIS248 4.1 61.3 1.0
CA B:HIS248 4.2 68.1 1.0
CA B:LYS249 4.2 46.3 1.0
C B:HIS248 4.3 67.6 1.0
NE2 B:HIS248 4.3 62.0 1.0
CG B:HIS248 4.4 56.8 1.0
CG1 B:VAL325 4.5 50.2 1.0
N B:GLY247 4.6 49.1 1.0
O B:GLY247 4.6 56.5 1.0
CE B:LYS249 4.7 71.9 1.0
CB B:ALA321 4.7 62.9 1.0
O B:GLY246 4.7 50.5 1.0
CE1 B:HIS248 4.7 59.0 1.0
ND1 B:HIS248 4.7 56.5 1.0
CB B:VAL325 4.9 53.4 1.0
CB B:HIS248 4.9 51.7 1.0

Chlorine binding site 5 out of 6 in 8ay9

Go back to Chlorine Binding Sites List in 8ay9
Chlorine binding site 5 out of 6 in the X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB9-HAB1 Ternary Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB9-HAB1 Ternary Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl609

b:111.9
occ:1.00
 NE2 B:GLN384 3.2 82.8 1.0
CG B:GLN384 3.6 70.7 1.0
CD B:GLN384 3.6 75.7 1.0
CE2 B:TYR372 3.8 68.5 1.0
CG1 B:VAL382 3.9 55.6 1.0
CD2 B:TYR372 4.4 69.2 1.0
CB B:ASP367 4.6 64.1 1.0
O B:VAL382 4.6 64.9 1.0
OE1 B:GLN384 4.6 84.8 1.0
C B:ILE383 4.7 63.1 1.0
CB B:ALA388 4.7 50.2 1.0
N B:GLN384 4.8 68.2 1.0
CZ B:TYR372 4.9 73.2 1.0
CB B:GLN384 4.9 76.9 1.0
C B:VAL382 4.9 57.6 1.0
CB B:VAL382 5.0 61.7 1.0
OH B:TYR372 5.0 84.6 1.0
O B:ILE383 5.0 66.6 1.0
CA B:ILE383 5.0 61.9 1.0

Chlorine binding site 6 out of 6 in 8ay9

Go back to Chlorine Binding Sites List in 8ay9
Chlorine binding site 6 out of 6 in the X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB9-HAB1 Ternary Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB9-HAB1 Ternary Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl610

b:115.7
occ:1.00
 CB B:LYS288 3.2 65.3 1.0
CD B:LYS288 3.7 80.0 1.0
O B:GLN285 4.0 75.4 1.0
CG B:LYS288 4.1 76.1 1.0
CG1 B:ILE269 4.1 97.9 1.0
N B:VAL289 4.2 67.6 1.0
CG2 B:VAL289 4.3 65.4 1.0
NZ B:LYS288 4.3 90.5 1.0
CD1 B:ILE269 4.3 89.2 1.0
CA B:LYS288 4.4 66.8 1.0
C B:LYS288 4.5 72.0 1.0
CE B:LYS288 4.6 87.0 1.0
CG B:GLN285 4.7 92.0 1.0
CA B:VAL289 4.8 55.4 1.0
CA B:GLN285 4.9 71.0 1.0
C B:GLN285 4.9 71.4 1.0

Reference:

J.Lozano-Juste, L.Infantes, I.Garcia-Maquilon, R.Ruiz-Partida, E.Merilo, J.L.Benavente, A.Velazquez-Campoy, A.Coego, M.Bono, J.Forment, B.Pampin, P.Destito, A.Monteiro, R.Rodriguez, J.Cruces, P.L.Rodriguez, A.Albert. Structure-Guided Engineering of A Receptor-Agonist Pair For Inducible Activation of the Aba Adaptive Response to Drought. Sci Adv V. 9 E9948 2023.
ISSN: ESSN 2375-2548
PubMed: 36897942
DOI: 10.1126/SCIADV.ADE9948
Page generated: Tue Jul 30 06:54:49 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy