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Manganese in PDB 8ay8: 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: 8ay8 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) 46.83 / 1.78
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 42.778, 62.699, 187.327, 90, 90, 90
R / Rfree (%) 19.3 / 22.6

Other elements in 8ay8:

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:

Chlorine (Cl) 6 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB9-HAB1 Ternary Complex (pdb code 8ay8). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 3 binding sites of Manganese where determined in the X-Ray Crystal Structure of the CSPYL1(V112L, T135L,F137I, T153I, V168A)-ISB9-HAB1 Ternary Complex, PDB code: 8ay8:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in 8ay8

Go back to Manganese Binding Sites List in 8ay8
Manganese binding site 1 out of 3 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 Manganese with other atoms in the Mn 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:Mn601

b:115.2
occ:1.00
 OE2 B:GLU302 2.3 40.6 1.0
O B:GLY401 2.4 30.7 1.0
O B:HOH748 2.5 38.7 1.0
O B:HOH722 2.6 34.3 1.0
O B:HOH833 2.6 43.1 1.0
OD2 B:ASP298 2.6 36.0 1.0
OD1 B:ASP298 2.6 30.0 1.0
CG B:ASP298 2.9 36.0 1.0
CD B:GLU302 3.5 45.2 1.0
C B:GLY401 3.5 34.9 1.0
N B:GLY401 4.0 29.9 1.0
CA B:GLY401 4.1 31.7 1.0
O B:VAL409 4.2 38.0 1.0
OE1 B:GLU302 4.3 49.9 1.0
CG B:GLU302 4.3 36.4 1.0
O B:ASP402 4.4 28.3 1.0
CB B:ASP298 4.5 30.6 1.0
C B:ASP402 4.5 33.0 1.0
CD B:PRO411 4.5 34.5 1.0
N B:ASP402 4.7 30.1 1.0
O B:SER399 4.7 30.2 1.0
N B:ARG403 4.7 31.2 1.0
CG B:PRO411 4.8 34.8 1.0
O B:HOH844 4.8 46.9 1.0
CA B:ARG403 4.9 33.9 1.0
O B:HOH791 4.9 54.1 1.0
C B:ILE400 4.9 29.0 1.0
CB B:LYS406 4.9 39.1 1.0
CA B:ASP402 5.0 31.3 1.0

Manganese binding site 2 out of 3 in 8ay8

Go back to Manganese Binding Sites List in 8ay8
Manganese binding site 2 out of 3 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 Manganese with other atoms in the Mn 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:Mn602

b:32.9
occ:1.00
 O B:GLY244 2.3 23.1 1.0
OD1 B:ASP243 2.4 21.9 1.0
O B:HOH714 2.4 35.4 1.0
O B:HOH774 2.4 31.8 1.0
O B:HOH725 2.4 23.7 1.0
O B:HOH806 2.6 28.6 1.0
O A:HOH474 2.8 37.2 1.0
O B:HOH708 3.0 40.6 1.0
MN B:MN603 3.4 42.5 1.0
CG B:ASP243 3.5 23.8 1.0
C B:GLY244 3.5 26.0 1.0
OD2 B:ASP243 4.0 22.7 1.0
O B:HOH713 4.1 21.3 1.0
N B:GLY244 4.2 20.9 1.0
O B:HOH741 4.2 25.3 1.0
C B:ASP243 4.3 22.9 1.0
O B:HOH776 4.3 24.0 1.0
OD1 B:ASP204 4.4 24.0 1.0
CA B:GLY244 4.4 23.6 1.0
N B:HIS245 4.5 23.3 1.0
O B:HOH845 4.5 43.4 1.0
CA B:HIS245 4.5 25.9 1.0
CB B:GLU203 4.5 26.1 1.0
O B:HOH834 4.5 35.0 1.0
OE1 B:GLU203 4.5 31.0 1.0
OD1 B:ASN493 4.5 20.7 1.0
OD1 B:ASP492 4.5 29.4 1.0
O B:ASP243 4.6 21.1 1.0
CB B:HIS245 4.7 25.5 1.0
O B:HOH807 4.7 34.8 1.0
CB B:ASP243 4.7 23.2 1.0
CA B:ASP243 4.8 23.0 1.0
O A:HOH484 5.0 38.6 1.0

Manganese binding site 3 out of 3 in 8ay8

Go back to Manganese Binding Sites List in 8ay8
Manganese binding site 3 out of 3 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 Manganese with other atoms in the Mn 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:Mn603

b:42.5
occ:1.00
 O B:HOH713 1.9 21.3 1.0
O B:HOH714 2.3 35.4 1.0
OD2 B:ASP243 2.4 22.7 1.0
OD1 B:ASP432 2.5 26.8 1.0
O B:HOH807 2.5 34.8 1.0
O B:HOH776 2.6 24.0 1.0
OD2 B:ASP492 2.6 34.8 1.0
CG B:ASP243 3.1 23.8 1.0
O B:HOH806 3.1 28.6 1.0
OD1 B:ASP243 3.2 21.9 1.0
MN B:MN602 3.4 32.9 1.0
CG B:ASP492 3.5 31.2 1.0
CG B:ASP432 3.5 24.0 1.0
OD1 B:ASP492 3.6 29.4 1.0
OD2 B:ASP432 3.7 31.6 1.0
O B:HOH740 3.9 31.8 1.0
O B:HOH708 4.1 40.6 1.0
O B:HOH818 4.2 41.8 1.0
O B:HOH725 4.3 23.7 1.0
O B:HOH735 4.5 23.9 1.0
CB B:ASP243 4.5 23.2 1.0
N B:GLY433 4.6 20.5 1.0
OD1 B:ASP204 4.8 24.0 1.0
O B:HOH845 4.8 43.4 1.0
O B:ASN493 4.8 21.5 1.0
O B:HOH724 4.8 36.4 1.0
CB B:ASP492 4.8 28.8 1.0
N B:ASP432 4.8 21.3 1.0
CB B:ASP432 4.8 21.6 1.0
O B:HOH741 4.9 25.3 1.0
O A:HOH474 5.0 37.2 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: Sun Oct 6 11:24:04 2024

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