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Manganese in PDB 8ay3: 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: 8ay3 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) 44.05 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 42.702, 62.25, 187.014, 90, 90, 90
R / Rfree (%) 19.4 / 24.1

Other elements in 8ay3:

The structure of X-Ray Crystal Structure of the CSPYL1-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-ISB9-HAB1 Ternary Complex (pdb code 8ay3). 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: 8ay3:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in 8ay3

Go back to Manganese Binding Sites List in 8ay3
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:96.5
occ:1.00
 O B:HOH784 2.2 60.7 1.0
O B:HOH705 2.4 55.1 1.0
O B:HOH773 2.5 40.1 1.0
OD2 B:ASP436 2.6 47.2 1.0
OD1 B:ASP436 2.8 31.3 1.0
OD2 B:ASP432 2.8 41.8 1.0
CG B:ASP436 3.0 36.6 1.0
CG B:ASP432 3.7 30.4 1.0
CB B:ASP432 4.0 33.5 1.0
O B:HOH702 4.1 40.8 1.0
OD2 B:ASP346 4.1 48.1 1.0
O B:HOH763 4.3 36.6 1.0
NZ B:LYS365 4.5 50.7 1.0
CB B:ASP436 4.5 28.9 1.0
OD1 B:ASP432 4.7 34.0 1.0
O B:HOH733 4.7 35.2 1.0
O B:HOH737 4.9 47.8 1.0
CE B:LYS365 5.0 48.1 1.0

Manganese binding site 2 out of 4 in 8ay3

Go back to Manganese Binding Sites List in 8ay3
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:136.1
occ:1.00
 O B:HOH781 2.0 114.3 1.0
OE2 B:GLU302 2.3 68.3 1.0
O B:GLY401 2.4 40.1 1.0
O B:HOH736 2.6 37.9 1.0
O B:HOH717 2.6 41.2 1.0
OD2 B:ASP298 2.7 40.6 1.0
OD1 B:ASP298 2.7 41.6 1.0
CG B:ASP298 3.1 45.5 1.0
CD B:GLU302 3.5 59.8 1.0
C B:GLY401 3.6 40.1 1.0
N B:GLY401 4.0 32.7 1.0
O B:VAL409 4.1 48.0 1.0
CA B:GLY401 4.2 34.4 1.0
OE1 B:GLU302 4.3 72.7 1.0
CG B:GLU302 4.4 52.5 1.0
O B:ASP402 4.5 35.0 1.0
C B:ASP402 4.5 35.3 1.0
CD B:PRO411 4.5 44.7 1.0
CB B:ASP298 4.6 38.6 1.0
N B:ARG403 4.6 32.7 1.0
N B:ASP402 4.7 36.0 1.0
O B:SER399 4.7 38.9 1.0
CG B:PRO411 4.7 45.8 1.0
CG B:LYS406 4.8 58.7 1.0
CA B:ARG403 4.8 34.8 1.0
C B:ILE400 5.0 32.0 1.0
CA B:ASP402 5.0 34.4 1.0

Manganese binding site 3 out of 4 in 8ay3

Go back to Manganese Binding Sites List in 8ay3
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:41.5
occ:1.00
 O B:GLY244 2.3 31.1 1.0
O B:HOH708 2.3 47.4 1.0
OD1 B:ASP243 2.4 31.4 1.0
O B:HOH753 2.4 41.1 1.0
O B:HOH738 2.5 32.6 1.0
O B:HOH789 2.6 39.4 1.0
O A:HOH652 2.8 41.2 1.0
C B:GLY244 3.5 32.1 1.0
CG B:ASP243 3.5 31.6 1.0
MN B:MN604 3.6 47.0 1.0
OD2 B:ASP243 4.0 30.7 1.0
O B:HOH734 4.1 37.4 1.0
N B:GLY244 4.2 29.9 1.0
O B:HOH706 4.3 42.4 1.0
O B:HOH756 4.3 32.8 1.0
O B:HOH788 4.3 42.0 1.0
N B:HIS245 4.3 28.1 1.0
CA B:HIS245 4.3 36.3 1.0
C B:ASP243 4.3 29.9 1.0
O B:HOH792 4.4 42.2 1.0
CA B:GLY244 4.4 29.4 1.0
OD1 B:ASP492 4.5 32.8 1.0
OE1 B:GLU203 4.5 36.5 1.0
OD1 B:ASP204 4.5 34.8 1.0
CB B:GLU203 4.6 27.5 1.0
CB B:HIS245 4.6 32.6 1.0
O B:ASP243 4.6 29.1 1.0
OD1 B:ASN493 4.7 30.8 1.0
CB B:ASP243 4.8 27.6 1.0
O B:HOH763 4.8 36.6 1.0
NH2 B:ARG199 4.9 52.2 1.0
CA B:ASP243 4.9 30.5 1.0
O A:HOH658 5.0 44.5 1.0
OG A:SER114 5.0 38.6 1.0

Manganese binding site 4 out of 4 in 8ay3

Go back to Manganese Binding Sites List in 8ay3
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:47.0
occ:1.00
 O B:HOH706 2.0 42.4 1.0
OD1 B:ASP432 2.4 34.0 1.0
OD2 B:ASP243 2.4 30.7 1.0
OD2 B:ASP492 2.4 37.3 1.0
O B:HOH756 2.5 32.8 1.0
O B:HOH708 2.6 47.4 1.0
O B:HOH763 2.6 36.6 1.0
O B:HOH789 3.0 39.4 1.0
CG B:ASP243 3.1 31.6 1.0
OD1 B:ASP243 3.1 31.4 1.0
CG B:ASP492 3.4 36.5 1.0
CG B:ASP432 3.4 30.4 1.0
MN B:MN603 3.6 41.5 1.0
OD1 B:ASP492 3.6 32.8 1.0
OD2 B:ASP432 3.7 41.8 1.0
O B:HOH745 4.1 43.3 1.0
O B:HOH716 4.4 33.8 1.0
O B:HOH738 4.5 32.6 1.0
N B:GLY433 4.5 30.2 1.0
CB B:ASP243 4.5 27.6 1.0
O B:HOH702 4.6 40.8 1.0
CB B:ASP492 4.7 34.3 1.0
O B:HOH788 4.7 42.0 1.0
OD1 B:ASP204 4.7 34.8 1.0
O B:ASN493 4.7 33.2 1.0
CB B:ASP432 4.8 33.5 1.0
N B:ASP432 4.8 32.4 1.0
O B:HOH734 5.0 37.4 1.0
C B:ASP432 5.0 30.3 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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