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Manganese 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:

Chlorine (Cl) 5 atoms

Manganese Binding Sites:

The binding sites of Manganese 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 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)-ISB7-HAB1 Ternary Complex, PDB code: 8ay7:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in 8ay7

Go back to Manganese Binding Sites List in 8ay7
Manganese binding site 1 out of 4 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 Manganese with other atoms in the Mn 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:Mn601

b:93.9
occ:1.00
 O B:HOH744 2.5 51.2 1.0
O B:HOH749 2.5 71.2 1.0
O B:HOH747 2.7 61.9 1.0
O B:HOH752 2.9 82.5 1.0
OD2 B:ASP432 2.9 57.5 1.0
OD2 B:ASP436 3.0 64.0 1.0
OD1 B:ASP436 3.2 41.6 1.0
CG B:ASP436 3.5 54.0 1.0
CG B:ASP432 3.8 45.6 1.0
O B:HOH701 4.1 53.4 1.0
OD2 B:ASP346 4.1 72.0 1.0
NZ B:LYS365 4.1 55.8 1.0
O B:HOH728 4.2 64.7 1.0
CB B:ASP432 4.2 50.1 1.0
CE B:LYS365 4.7 68.8 1.0
OD1 B:ASP432 4.8 54.7 1.0
CB B:ASP436 4.9 50.4 1.0

Manganese binding site 2 out of 4 in 8ay7

Go back to Manganese Binding Sites List in 8ay7
Manganese binding site 2 out of 4 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 Manganese with other atoms in the Mn 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:Mn602

b:127.0
occ:1.00
 OE2 B:GLU302 2.0 134.4 1.0
O B:GLY401 2.3 57.0 1.0
OD2 B:ASP298 2.5 59.8 1.0
O B:HOH741 2.6 90.4 1.0
OD1 B:ASP298 2.6 58.1 1.0
O B:HOH705 2.7 55.6 1.0
O B:HOH721 2.9 52.6 1.0
CG B:ASP298 2.9 61.4 1.0
CD B:GLU302 3.2 100.6 1.0
C B:GLY401 3.5 48.0 1.0
N B:GLY401 3.9 43.9 1.0
OE1 B:GLU302 3.9 106.1 1.0
CA B:GLY401 4.0 45.4 1.0
CG B:GLU302 4.2 80.4 1.0
O B:VAL409 4.3 72.9 1.0
CD B:PRO411 4.3 53.1 1.0
CB B:ASP298 4.4 56.5 1.0
CG B:PRO411 4.5 60.7 1.0
C B:ASP402 4.6 54.0 1.0
O B:ASP402 4.6 44.3 1.0
N B:ASP402 4.6 43.0 1.0
NZ B:LYS406 4.7 92.5 1.0
N B:ARG403 4.8 57.0 1.0
O B:SER399 4.8 50.9 1.0
C B:ILE400 4.8 47.4 1.0
CB B:PRO411 4.9 54.2 1.0
CB B:LYS406 5.0 71.2 1.0
CA B:ARG403 5.0 55.3 1.0

Manganese binding site 3 out of 4 in 8ay7

Go back to Manganese Binding Sites List in 8ay7
Manganese binding site 3 out of 4 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 Manganese with other atoms in the Mn 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:Mn603

b:59.6
occ:1.00
 O B:GLY244 2.3 40.6 1.0
OD1 B:ASP243 2.3 35.9 1.0
O B:HOH718 2.4 39.8 1.0
O B:HOH716 2.4 49.6 1.0
O B:HOH736 2.4 53.5 1.0
O B:HOH702 2.6 62.9 1.0
O A:HOH625 3.0 49.1 1.0
CG B:ASP243 3.4 35.5 1.0
MN B:MN604 3.5 59.4 1.0
C B:GLY244 3.5 43.1 1.0
OD2 B:ASP243 3.9 45.1 1.0
O B:HOH730 4.1 44.1 1.0
N B:GLY244 4.1 38.4 1.0
O B:HOH748 4.2 63.1 1.0
O B:HOH715 4.3 60.4 1.0
C B:ASP243 4.3 38.4 1.0
O B:HOH729 4.4 42.5 1.0
CA B:GLY244 4.4 36.3 1.0
N B:HIS245 4.4 39.7 1.0
OD1 B:ASP204 4.4 46.9 1.0
O B:HOH742 4.5 57.4 1.0
CB B:GLU203 4.5 43.7 1.0
CA B:HIS245 4.5 47.8 1.0
OD1 B:ASP492 4.5 67.6 1.0
O B:ASP243 4.6 44.6 1.0
OE1 B:GLU203 4.6 51.2 1.0
CB B:ASP243 4.7 30.0 1.0
CB B:HIS245 4.7 41.5 1.0
OD1 B:ASN493 4.7 45.8 1.0
CA B:ASP243 4.8 32.4 1.0

Manganese binding site 4 out of 4 in 8ay7

Go back to Manganese Binding Sites List in 8ay7
Manganese binding site 4 out of 4 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 Manganese with other atoms in the Mn 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:Mn604

b:59.4
occ:1.00
 O B:HOH715 2.1 60.4 1.0
OD2 B:ASP243 2.3 45.1 1.0
OD2 B:ASP492 2.5 60.6 1.0
OD1 B:ASP432 2.5 54.7 1.0
O B:HOH729 2.5 42.5 1.0
O B:HOH702 2.8 62.9 1.0
O B:HOH728 2.8 64.7 1.0
CG B:ASP243 3.0 35.5 1.0
OD1 B:ASP243 3.1 35.9 1.0
O B:HOH736 3.2 53.5 1.0
CG B:ASP492 3.4 56.9 1.0
CG B:ASP432 3.5 45.6 1.0
MN B:MN603 3.5 59.6 1.0
OD1 B:ASP492 3.6 67.6 1.0
OD2 B:ASP432 3.8 57.5 1.0
O B:HOH706 4.1 55.7 1.0
O B:HOH718 4.2 39.8 1.0
O B:HOH722 4.4 45.7 1.0
CB B:ASP243 4.4 30.0 1.0
N B:GLY433 4.5 30.9 1.0
OD1 B:ASP204 4.7 46.9 1.0
N B:ASP432 4.7 38.0 1.0
O B:HOH701 4.7 53.4 1.0
CB B:ASP492 4.7 44.3 1.0
O B:HOH748 4.8 63.1 1.0
CB B:ASP432 4.8 50.1 1.0
O B:ASN493 4.9 41.3 1.0
O B:HOH730 4.9 44.1 1.0
CB B:SER431 5.0 47.4 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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