Chlorine in PDB 8ay7: X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB7-HAB1 Ternary Complex

Enzymatic activity of X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB7-HAB1 Ternary Complex

All present enzymatic activity of X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB7-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)-ISB7-HAB1 Ternary Complex, PDB code: 8ay7 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) 44.21 / 2.13
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 42.821, 62.724, 186.948, 90, 90, 90
R / Rfree (%) 19.1 / 24.7

Other elements in 8ay7:

The structure of X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB7-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)-ISB7-HAB1 Ternary Complex (pdb code 8ay7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB7-HAB1 Ternary Complex, PDB code: 8ay7:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 8ay7

Go back to Chlorine Binding Sites List in 8ay7
Chlorine binding site 1 out of 5 in the X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB7-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)-ISB7-HAB1 Ternary Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl605

b:72.5
occ:1.00
 CD B:ARG449 3.2 58.4 1.0
NH1 B:ARG449 3.3 49.2 1.0
CG B:ARG449 4.0 60.8 1.0
NE B:ARG450 4.1 67.8 1.0
NE B:ARG449 4.2 58.1 1.0
CG2 B:ILE446 4.2 40.0 1.0
CZ B:ARG449 4.2 53.3 1.0
CE2 B:TYR480 4.2 60.4 1.0
CG1 B:ILE446 4.3 47.7 1.0
CB B:ARG449 4.3 49.5 1.0
NH2 B:ARG450 4.4 70.0 1.0
OH B:TYR480 4.5 71.0 1.0
CA B:ILE446 4.6 46.3 1.0
CB B:ILE446 4.6 41.2 1.0
CZ B:TYR480 4.7 59.9 1.0
CE B:MET453 4.7 76.0 1.0
CZ B:ARG450 4.7 71.7 1.0
CG B:ARG450 4.7 58.5 1.0
O B:ILE446 4.9 45.5 1.0
CD2 B:TYR480 5.0 55.7 1.0

Chlorine binding site 2 out of 5 in 8ay7

Go back to Chlorine Binding Sites List in 8ay7
Chlorine binding site 2 out of 5 in the X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB7-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)-ISB7-HAB1 Ternary Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl606

b:80.6
occ:1.00
 O B:HOH745 3.1 38.5 1.0
N B:SER200 3.1 47.0 1.0
OG B:SER200 3.2 54.6 1.0
CD B:ARG199 3.5 52.8 1.0
CA B:ARG199 3.7 50.5 1.0
CB B:SER200 3.9 42.9 1.0
C B:ARG199 3.9 50.7 1.0
CB B:ARG199 3.9 51.0 1.0
CA B:SER200 4.1 41.1 1.0
O A:HOH621 4.3 47.1 1.0
CG B:ARG199 4.3 48.6 1.0
NE B:ARG199 4.5 77.6 1.0
O B:ASN198 4.7 64.8 1.0
NH2 B:ARG199 4.7 75.6 1.0
N B:GLU201 4.8 46.3 1.0
N B:ARG199 4.9 51.0 1.0
C B:SER200 5.0 37.5 1.0

Chlorine binding site 3 out of 5 in 8ay7

Go back to Chlorine Binding Sites List in 8ay7
Chlorine binding site 3 out of 5 in the X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB7-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)-ISB7-HAB1 Ternary Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl607

b:93.2
occ:1.00
 O B:HOH709 2.9 65.7 1.0
O B:ARG450 3.2 44.3 1.0
CD B:ARG450 3.6 62.0 1.0
N B:TRP454 3.8 46.5 1.0
CB B:MET453 3.8 56.9 1.0
CB B:ALA476 3.9 37.4 1.0
NH1 B:ARG450 4.0 77.9 1.0
C B:ARG450 4.0 48.2 1.0
CA B:ARG450 4.1 45.6 1.0
CB B:TRP454 4.1 46.6 1.0
CB B:ARG450 4.2 45.7 1.0
CA B:TRP454 4.2 47.9 1.0
C B:MET453 4.4 48.7 1.0
SD B:MET453 4.5 92.9 1.0
CG B:MET453 4.5 77.5 1.0
NE B:ARG450 4.5 67.8 1.0
CG B:ARG450 4.5 58.5 1.0
CZ B:ARG450 4.7 71.7 1.0
CA B:MET453 4.7 48.4 1.0
CD1 B:TRP454 4.8 48.1 1.0
CG B:TRP454 4.9 44.6 1.0

Chlorine binding site 4 out of 5 in 8ay7

Go back to Chlorine Binding Sites List in 8ay7
Chlorine binding site 4 out of 5 in the X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB7-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)-ISB7-HAB1 Ternary Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl608

b:54.5
occ:1.00
 CG B:LYS249 3.0 71.4 1.0
N B:LYS249 3.0 46.4 1.0
N B:HIS248 3.0 49.1 1.0
CA B:GLY247 3.4 36.3 1.0
CB B:LYS249 3.5 59.7 1.0
C B:GLY247 3.6 40.3 1.0
CD2 B:HIS248 3.8 54.9 1.0
CA B:LYS249 3.8 51.1 1.0
CG2 B:VAL325 3.9 59.6 1.0
C B:HIS248 4.0 56.6 1.0
CA B:HIS248 4.0 53.6 1.0
CG1 B:VAL325 4.2 48.9 1.0
NE2 B:HIS248 4.2 54.4 1.0
CG B:HIS248 4.3 55.2 1.0
CD B:LYS249 4.4 71.2 1.0
CB B:VAL325 4.6 50.1 1.0
O B:GLY247 4.7 41.0 1.0
N B:GLY247 4.7 44.5 1.0
NZ B:LYS249 4.7 77.0 1.0
CB B:HIS248 4.8 50.9 1.0
CE B:LYS249 4.8 70.6 1.0
O B:GLY246 4.8 48.1 1.0
CE1 B:HIS248 4.9 56.5 1.0
CB B:ALA321 4.9 61.2 1.0
ND1 B:HIS248 5.0 59.8 1.0

Chlorine binding site 5 out of 5 in 8ay7

Go back to Chlorine Binding Sites List in 8ay7
Chlorine binding site 5 out of 5 in the X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB7-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)-ISB7-HAB1 Ternary Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl609

b:136.2
occ:1.00
 NE2 B:GLN384 3.3 89.7 1.0
O B:VAL382 3.7 55.9 1.0
CG1 B:VAL382 3.9 47.0 1.0
CE2 B:TYR372 4.1 71.5 1.0
CD B:GLN384 4.3 80.5 1.0
C B:VAL382 4.3 50.4 1.0
CG B:GLN384 4.3 59.8 1.0
N B:GLN384 4.4 47.9 1.0
CA B:ILE383 4.5 48.5 1.0
C B:ILE383 4.5 50.0 1.0
CD2 B:TYR372 4.7 64.2 1.0
N B:ILE383 4.7 49.8 1.0
CB B:VAL382 4.8 57.4 1.0
CB B:ALA388 4.9 52.4 1.0
CZ B:TYR372 5.0 73.9 1.0
CB B:GLN384 5.0 56.5 1.0
OH B:TYR372 5.0 81.2 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 06:54:44 2024

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