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Manganese in PDB 7avw: X-Ray Crystal Structure of the CSPYL1-LIG2-HAB1 Ternary Complex

Enzymatic activity of X-Ray Crystal Structure of the CSPYL1-LIG2-HAB1 Ternary Complex

All present enzymatic activity of X-Ray Crystal Structure of the CSPYL1-LIG2-HAB1 Ternary Complex:
3.1.3.16;

Protein crystallography data

The structure of X-Ray Crystal Structure of the CSPYL1-LIG2-HAB1 Ternary Complex, PDB code: 7avw was solved by A.Albert, L.Infantes, J.L.Benavente, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.89 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 43.118, 62.45, 187.578, 90, 90, 90
R / Rfree (%) 19.6 / 25.1

Other elements in 7avw:

The structure of X-Ray Crystal Structure of the CSPYL1-LIG2-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-LIG2-HAB1 Ternary Complex (pdb code 7avw). 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-LIG2-HAB1 Ternary Complex, PDB code: 7avw:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in 7avw

Go back to Manganese Binding Sites List in 7avw
Manganese binding site 1 out of 4 in the X-Ray Crystal Structure of the CSPYL1-LIG2-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-LIG2-HAB1 Ternary Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn601

b:54.0
occ:1.00
 O B:HOH701 2.4 45.1 1.0
O B:HOH802 2.4 49.9 1.0
O B:HOH798 2.5 36.5 1.0
OD1 B:ASP436 2.6 37.5 1.0
OD2 B:ASP432 2.6 42.9 1.0
OD2 B:ASP436 2.7 33.9 1.0
O B:HOH800 2.8 46.7 1.0
CG B:ASP436 3.0 36.0 1.0
O B:HOH818 3.3 54.6 1.0
CG B:ASP432 3.6 38.0 1.0
CB B:ASP432 4.0 36.4 1.0
O B:HOH729 4.2 46.3 1.0
NZ B:LYS365 4.2 45.4 1.0
OD2 B:ASP346 4.3 47.1 1.0
O B:HOH717 4.4 40.6 1.0
O B:HOH822 4.5 50.5 1.0
CB B:ASP436 4.5 31.0 1.0
OD1 B:ASP432 4.6 35.8 1.0
O B:HOH745 4.6 35.3 1.0
O B:HOH724 4.9 46.8 1.0
CE B:LYS365 5.0 46.4 1.0

Manganese binding site 2 out of 4 in 7avw

Go back to Manganese Binding Sites List in 7avw
Manganese binding site 2 out of 4 in the X-Ray Crystal Structure of the CSPYL1-LIG2-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-LIG2-HAB1 Ternary Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn602

b:116.0
occ:1.00
 OE2 B:GLU302 2.1 68.5 1.0
O B:HOH806 2.4 53.0 1.0
OD2 B:ASP298 2.5 52.5 1.0
O B:HOH760 2.5 47.0 1.0
O B:GLY401 2.5 47.3 1.0
O B:HOH747 2.5 44.7 1.0
OD1 B:ASP298 2.7 46.8 1.0
CG B:ASP298 2.9 50.6 1.0
CD B:GLU302 3.3 57.4 1.0
C B:GLY401 3.7 45.4 1.0
N B:GLY401 4.0 39.8 1.0
OE1 B:GLU302 4.1 64.4 1.0
O B:VAL409 4.2 44.8 1.0
CA B:GLY401 4.2 41.6 1.0
CG B:GLU302 4.3 53.8 1.0
CD B:PRO411 4.3 46.6 1.0
CB B:ASP298 4.4 46.5 1.0
O B:ASP402 4.6 39.0 1.0
CG B:PRO411 4.6 47.9 1.0
C B:ASP402 4.6 43.4 1.0
O B:SER399 4.7 41.6 1.0
N B:ASP402 4.8 39.8 1.0
N B:ARG403 4.8 42.0 1.0
CB B:PRO411 4.9 41.9 1.0
CA B:ARG403 4.9 46.3 1.0
C B:ILE400 4.9 39.9 1.0
N B:PRO411 5.0 46.3 1.0
CB B:LYS406 5.0 52.8 1.0

Manganese binding site 3 out of 4 in 7avw

Go back to Manganese Binding Sites List in 7avw
Manganese binding site 3 out of 4 in the X-Ray Crystal Structure of the CSPYL1-LIG2-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-LIG2-HAB1 Ternary Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn603

b:43.1
occ:1.00
 O B:GLY244 2.2 36.5 1.0
O B:HOH721 2.4 41.1 1.0
O B:HOH748 2.4 44.9 1.0
OD1 B:ASP243 2.4 31.4 1.0
O B:HOH754 2.5 38.1 1.0
O B:HOH726 2.5 34.0 1.0
O A:HOH652 2.7 41.5 1.0
C B:GLY244 3.4 35.4 1.0
CG B:ASP243 3.6 33.5 1.0
MN B:MN604 3.7 47.0 1.0
OD2 B:ASP243 4.0 35.0 1.0
O B:HOH723 4.1 39.3 1.0
N B:GLY244 4.1 33.0 1.0
C B:ASP243 4.3 33.8 1.0
N B:HIS245 4.3 38.0 1.0
OE1 B:GLU203 4.3 36.1 1.0
CA B:HIS245 4.3 38.1 1.0
O B:HOH807 4.3 50.1 1.0
CA B:GLY244 4.4 33.6 1.0
O B:HOH746 4.4 31.4 1.0
CB B:GLU203 4.4 32.4 1.0
O B:ASP243 4.4 35.8 1.0
OD1 B:ASP204 4.5 30.6 1.0
O B:HOH796 4.6 38.0 1.0
CB B:HIS245 4.6 35.3 1.0
OD1 B:ASP492 4.6 35.7 1.0
OD1 B:ASN493 4.7 33.5 1.0
CB B:ASP243 4.8 31.5 1.0
CA B:ASP243 4.8 33.0 1.0
O B:GLU203 4.9 29.0 1.0
O B:HOH729 4.9 46.3 1.0
OG A:SER114 5.0 35.7 1.0
C B:GLU203 5.0 34.5 1.0
NH1 B:ARG199 5.0 44.6 1.0

Manganese binding site 4 out of 4 in 7avw

Go back to Manganese Binding Sites List in 7avw
Manganese binding site 4 out of 4 in the X-Ray Crystal Structure of the CSPYL1-LIG2-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-LIG2-HAB1 Ternary Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn604

b:47.0
occ:1.00
 OD2 B:ASP243 2.3 35.0 1.0
OD1 B:ASP432 2.4 35.8 1.0
OD2 B:ASP492 2.5 37.4 1.0
O B:HOH729 2.5 46.3 1.0
O B:HOH746 2.6 31.4 1.0
O B:HOH721 2.7 41.1 1.0
O B:HOH748 2.9 44.9 1.0
CG B:ASP243 3.0 33.5 1.0
OD1 B:ASP243 3.1 31.4 1.0
CG B:ASP492 3.4 37.6 1.0
CG B:ASP432 3.5 38.0 1.0
OD1 B:ASP492 3.6 35.7 1.0
MN B:MN603 3.7 43.1 1.0
OD2 B:ASP432 3.8 42.9 1.0
O B:HOH750 4.1 41.5 1.0
O B:HOH726 4.4 34.0 1.0
O B:HOH763 4.5 33.4 1.0
CB B:ASP243 4.5 31.5 1.0
N B:GLY433 4.6 29.5 1.0
O B:HOH717 4.7 40.6 1.0
O B:HOH807 4.7 50.1 1.0
OD1 B:ASP204 4.7 30.6 1.0
N B:ASP432 4.8 32.2 1.0
CB B:ASP492 4.8 34.7 1.0
CB B:ASP432 4.8 36.4 1.0
O B:ASN493 4.9 31.7 1.0
O B:HOH723 4.9 39.3 1.0
O A:HOH652 5.0 41.5 1.0

Reference:

A.Albert, L.Infantes, J.L.Benavente. X-Ray Crystal Structure of the CSPYL1-LIG2-HAB1 Ternary Complex To Be Published.
Page generated: Sun Oct 6 08:06:13 2024

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