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Manganese in PDB 8ay6: X-Ray Crystal Structure of the CSPYL1-ISB9-HAB1 Ternary Complex

Enzymatic activity of X-Ray Crystal Structure of the CSPYL1-ISB9-HAB1 Ternary Complex

All present enzymatic activity of X-Ray Crystal Structure of the CSPYL1-ISB9-HAB1 Ternary Complex:
3.1.3.16;

Protein crystallography data

The structure of X-Ray Crystal Structure of the CSPYL1-ISB9-HAB1 Ternary Complex, PDB code: 8ay6 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) 44.23 / 1.84
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 42.987, 62.909, 186.615, 90, 90, 90
R / Rfree (%) 16.8 / 20

Other elements in 8ay6:

The structure of X-Ray Crystal Structure of the CSPYL1-ISB9-HAB1 Ternary Complex also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the X-Ray Crystal Structure of the CSPYL1-ISB9-HAB1 Ternary Complex (pdb code 8ay6). 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-ISB9-HAB1 Ternary Complex, PDB code: 8ay6:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in 8ay6

Go back to Manganese Binding Sites List in 8ay6
Manganese binding site 1 out of 4 in the X-Ray Crystal Structure of the CSPYL1-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-ISB9-HAB1 Ternary Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn601

b:32.4
occ:1.00
 O B:HOH742 2.2 34.9 1.0
O B:GLY244 2.3 23.1 1.0
O B:HOH737 2.3 20.2 1.0
O B:HOH757 2.3 25.2 1.0
OD1 B:ASP243 2.4 20.5 1.0
O B:HOH820 2.6 32.3 1.0
O A:HOH487 2.7 39.3 1.0
C B:GLY244 3.5 21.3 1.0
CG B:ASP243 3.5 23.0 1.0
MN B:MN602 3.6 35.0 1.0
O B:HOH768 3.9 28.3 1.0
OD2 B:ASP243 4.0 23.1 1.0
N B:GLY244 4.1 20.8 1.0
O B:HOH711 4.2 31.1 1.0
C B:ASP243 4.3 21.6 1.0
O B:HOH845 4.3 46.3 1.0
O B:HOH765 4.3 21.6 1.0
CA B:GLY244 4.4 19.7 1.0
N B:HIS245 4.4 23.8 1.0
CA B:HIS245 4.4 23.1 1.0
OD1 B:ASP204 4.5 22.5 1.0
OE1 B:GLU203 4.5 26.4 1.0
CB B:GLU203 4.5 21.7 1.0
OD1 B:ASP492 4.5 23.4 1.0
OD1 B:ASN493 4.5 23.6 1.0
O B:HOH842 4.6 36.1 1.0
O B:ASP243 4.6 20.8 1.0
CB B:HIS245 4.7 26.1 1.0
CB B:ASP243 4.7 24.0 1.0
CA B:ASP243 4.8 22.2 1.0
O B:HOH754 4.9 35.5 1.0
O A:HOH498 5.0 43.4 1.0

Manganese binding site 2 out of 4 in 8ay6

Go back to Manganese Binding Sites List in 8ay6
Manganese binding site 2 out of 4 in the X-Ray Crystal Structure of the CSPYL1-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-ISB9-HAB1 Ternary Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn602

b:35.0
occ:1.00
 O B:HOH711 1.8 31.1 1.0
OD1 B:ASP432 2.4 21.4 1.0
OD2 B:ASP243 2.4 23.1 1.0
OD2 B:ASP492 2.4 29.7 1.0
O B:HOH742 2.4 34.9 1.0
O B:HOH765 2.4 21.6 1.0
O B:HOH754 2.6 35.5 1.0
CG B:ASP243 3.1 23.0 1.0
O B:HOH820 3.2 32.3 1.0
OD1 B:ASP243 3.2 20.5 1.0
CG B:ASP492 3.3 27.8 1.0
CG B:ASP432 3.4 21.6 1.0
OD1 B:ASP492 3.6 23.4 1.0
MN B:MN601 3.6 32.4 1.0
OD2 B:ASP432 3.7 30.1 1.0
O B:HOH739 4.1 30.9 1.0
O B:HOH845 4.3 46.3 1.0
O B:HOH737 4.4 20.2 1.0
N B:GLY433 4.4 18.4 1.0
O B:HOH718 4.5 28.6 1.0
O B:HOH736 4.5 19.8 1.0
CB B:ASP243 4.6 24.0 1.0
CB B:ASP492 4.7 27.0 1.0
O B:ASN493 4.7 21.1 1.0
OD1 B:ASP204 4.7 22.5 1.0
N B:ASP432 4.7 22.2 1.0
CB B:ASP432 4.7 18.1 1.0
C B:ASP432 4.9 20.5 1.0
O B:HOH768 4.9 28.3 1.0

Manganese binding site 3 out of 4 in 8ay6

Go back to Manganese Binding Sites List in 8ay6
Manganese binding site 3 out of 4 in the X-Ray Crystal Structure of the CSPYL1-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-ISB9-HAB1 Ternary Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn603

b:42.9
occ:1.00
 O B:HOH832 2.1 42.8 1.0
O B:HOH703 2.3 24.4 1.0
O B:HOH805 2.4 30.3 1.0
OD2 B:ASP436 2.4 28.3 1.0
OD2 B:ASP432 2.6 30.1 1.0
O B:HOH854 2.7 47.5 1.0
OD1 B:ASP436 2.7 27.3 1.0
CG B:ASP436 2.9 25.8 1.0
CG B:ASP432 3.6 21.6 1.0
CB B:ASP432 4.0 18.1 1.0
O B:HOH858 4.0 82.8 1.0
OD2 B:ASP346 4.1 33.8 1.0
O B:HOH754 4.2 35.5 1.0
O B:HOH718 4.3 28.6 1.0
CB B:ASP436 4.4 21.1 1.0
O B:HOH863 4.5 63.3 1.0
NZ B:LYS365 4.5 54.5 1.0
OD1 B:ASP432 4.6 21.4 1.0
O B:HOH769 4.8 28.5 1.0
O B:HOH744 5.0 34.7 1.0

Manganese binding site 4 out of 4 in 8ay6

Go back to Manganese Binding Sites List in 8ay6
Manganese binding site 4 out of 4 in the X-Ray Crystal Structure of the CSPYL1-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-ISB9-HAB1 Ternary Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn604

b:36.1
occ:1.00
 OE2 B:GLU302 2.3 33.1 1.0
O B:GLY401 2.4 31.6 1.0
O B:HOH712 2.4 27.8 1.0
O B:HOH844 2.4 31.5 1.0
O B:HOH758 2.4 31.7 1.0
OD1 B:ASP298 2.5 31.0 1.0
OD2 B:ASP298 2.7 36.2 1.0
CG B:ASP298 3.0 35.9 1.0
CD B:GLU302 3.5 36.7 1.0
C B:GLY401 3.5 34.3 1.0
N B:GLY401 4.0 24.9 1.0
CA B:GLY401 4.1 29.4 1.0
O B:VAL409 4.2 48.6 1.0
CG B:GLU302 4.3 33.5 1.0
OE1 B:GLU302 4.3 41.9 1.0
O B:ASP402 4.3 30.5 1.0
C B:ASP402 4.4 24.6 1.0
CB B:ASP298 4.5 32.8 1.0
N B:ARG403 4.5 26.7 1.0
CD B:PRO411 4.5 32.3 1.0
N B:ASP402 4.6 31.7 1.0
O B:SER399 4.6 31.3 1.0
CA B:ARG403 4.7 26.7 1.0
CG B:PRO411 4.7 31.6 1.0
CA B:ASP402 4.9 27.3 1.0
C B:ILE400 4.9 28.3 1.0
CB B:LYS406 5.0 40.0 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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