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Manganese 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:

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 8ay9). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 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: 8ay9:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in 8ay9

Go back to Manganese Binding Sites List in 8ay9
Manganese binding site 1 out of 4 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:87.2
occ:1.00
 O B:HOH715 2.3 49.9 1.0
OD2 B:ASP432 2.3 59.8 1.0
O B:HOH709 2.4 54.2 1.0
O B:HOH732 2.4 84.2 1.0
OD2 B:ASP436 2.6 64.4 1.0
O B:HOH731 2.8 59.9 1.0
CG B:ASP436 3.4 54.9 1.0
OD1 B:ASP436 3.4 49.1 1.0
CG B:ASP432 3.5 57.4 1.0
OD2 B:ASP346 4.1 61.1 1.0
CB B:ASP432 4.1 47.6 1.0
O B:HOH727 4.1 52.8 1.0
NZ B:LYS365 4.3 62.5 1.0
OD1 B:ASP432 4.5 71.0 1.0
CB B:ASP436 4.9 48.5 1.0

Manganese binding site 2 out of 4 in 8ay9

Go back to Manganese Binding Sites List in 8ay9
Manganese binding site 2 out of 4 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:74.0
occ:1.00
 O B:GLY401 2.3 46.1 1.0
OE2 B:GLU302 2.5 61.8 1.0
OD2 B:ASP298 2.6 51.8 1.0
OD1 B:ASP298 2.8 53.3 1.0
O B:HOH711 2.8 59.1 1.0
CG B:ASP298 3.0 56.0 1.0
C B:GLY401 3.4 51.5 1.0
CD B:GLU302 3.6 76.0 1.0
O B:ASP402 3.9 52.1 1.0
N B:GLY401 3.9 42.9 1.0
CA B:GLY401 4.1 44.5 1.0
O B:VAL409 4.2 70.1 1.0
C B:ASP402 4.2 63.3 1.0
CG B:GLU302 4.3 70.4 1.0
OE1 B:GLU302 4.4 79.4 1.0
CD B:PRO411 4.5 56.3 1.0
N B:ASP402 4.5 43.2 1.0
CG B:PRO411 4.5 60.1 1.0
CB B:ASP298 4.6 48.6 1.0
N B:ARG403 4.6 70.3 1.0
CA B:ARG403 4.8 54.1 1.0
CA B:ASP402 4.8 57.6 1.0
C B:ILE400 4.9 41.6 1.0
O B:SER399 4.9 46.8 1.0
CB B:LYS406 5.0 65.2 1.0

Manganese binding site 3 out of 4 in 8ay9

Go back to Manganese Binding Sites List in 8ay9
Manganese binding site 3 out of 4 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:62.0
occ:1.00
 OD1 B:ASP243 2.2 41.3 1.0
O B:GLY244 2.3 46.2 1.0
O B:HOH703 2.4 52.2 1.0
O B:HOH720 2.5 43.0 1.0
O B:HOH713 2.7 43.3 1.0
O A:HOH412 2.8 55.5 1.0
O B:HOH712 3.3 54.3 1.0
CG B:ASP243 3.3 48.5 1.0
MN B:MN604 3.5 62.8 1.0
C B:GLY244 3.5 47.5 1.0
OD2 B:ASP243 3.7 50.6 1.0
O B:HOH714 4.1 48.1 1.0
C B:ASP243 4.2 49.0 1.0
O B:ASP243 4.2 58.5 1.0
N B:GLY244 4.3 54.1 1.0
N B:HIS245 4.4 52.8 1.0
CA B:HIS245 4.4 63.4 1.0
O B:HOH727 4.4 52.8 1.0
CA B:GLY244 4.5 43.2 1.0
CB B:ASP243 4.6 32.7 1.0
CB B:HIS245 4.6 61.4 1.0
OD1 B:ASP204 4.6 61.5 1.0
OD1 B:ASP492 4.6 49.5 1.0
CB B:GLU203 4.7 41.1 1.0
CA B:ASP243 4.7 36.7 1.0
O B:HOH723 4.7 47.7 1.0
O B:HOH730 4.7 51.7 1.0
OE1 B:GLU203 4.8 51.3 1.0
O B:HOH725 4.8 46.8 1.0
NH2 B:ARG199 4.9 74.7 1.0
OG A:SER114 4.9 52.6 1.0

Manganese binding site 4 out of 4 in 8ay9

Go back to Manganese Binding Sites List in 8ay9
Manganese binding site 4 out of 4 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 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:Mn604

b:62.8
occ:1.00
 OD2 B:ASP492 2.3 38.5 1.0
OD2 B:ASP243 2.4 50.6 1.0
O B:HOH714 2.4 48.1 1.0
O B:HOH703 2.5 52.2 1.0
OD1 B:ASP432 2.5 71.0 1.0
O B:HOH727 2.6 52.8 1.0
CG B:ASP243 3.2 48.5 1.0
OD1 B:ASP243 3.3 41.3 1.0
CG B:ASP492 3.3 48.4 1.0
MN B:MN603 3.5 62.0 1.0
CG B:ASP432 3.5 57.4 1.0
OD1 B:ASP492 3.6 49.5 1.0
OD2 B:ASP432 3.8 59.8 1.0
O B:HOH723 3.9 47.7 1.0
O B:HOH712 4.3 54.3 1.0
O B:HOH710 4.4 39.4 1.0
O B:HOH730 4.5 51.7 1.0
O B:HOH713 4.5 43.3 1.0
N B:GLY433 4.6 38.4 1.0
CB B:ASP243 4.6 32.7 1.0
CB B:ASP492 4.7 46.3 1.0
O B:ASN493 4.7 47.2 1.0
OD1 B:ASP204 4.9 61.5 1.0
N B:ASP432 4.9 53.3 1.0
CB B:ASP432 4.9 47.6 1.0
O A:HOH412 5.0 55.5 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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