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Manganese in PDB 1ow2: Structure and Mechanism of Action of Isopentenylpyrophosphate- Dimethylallylpyrophosphate Isomerase: Complex of C67A Mutant with Eipp

Enzymatic activity of Structure and Mechanism of Action of Isopentenylpyrophosphate- Dimethylallylpyrophosphate Isomerase: Complex of C67A Mutant with Eipp

All present enzymatic activity of Structure and Mechanism of Action of Isopentenylpyrophosphate- Dimethylallylpyrophosphate Isomerase: Complex of C67A Mutant with Eipp:
5.3.3.2;

Protein crystallography data

The structure of Structure and Mechanism of Action of Isopentenylpyrophosphate- Dimethylallylpyrophosphate Isomerase: Complex of C67A Mutant with Eipp, PDB code: 1ow2 was solved by J.Wouters, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 6.00 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 68.948, 71.394, 92.381, 90.00, 90.00, 90.00
R / Rfree (%) 22.8 / 29.4

Other elements in 1ow2:

The structure of Structure and Mechanism of Action of Isopentenylpyrophosphate- Dimethylallylpyrophosphate Isomerase: Complex of C67A Mutant with Eipp also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Structure and Mechanism of Action of Isopentenylpyrophosphate- Dimethylallylpyrophosphate Isomerase: Complex of C67A Mutant with Eipp (pdb code 1ow2). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Structure and Mechanism of Action of Isopentenylpyrophosphate- Dimethylallylpyrophosphate Isomerase: Complex of C67A Mutant with Eipp, PDB code: 1ow2:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 1ow2

Go back to Manganese Binding Sites List in 1ow2
Manganese binding site 1 out of 2 in the Structure and Mechanism of Action of Isopentenylpyrophosphate- Dimethylallylpyrophosphate Isomerase: Complex of C67A Mutant with Eipp


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure and Mechanism of Action of Isopentenylpyrophosphate- Dimethylallylpyrophosphate Isomerase: Complex of C67A Mutant with Eipp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn201

b:26.7
occ:1.00
 OE2 A:GLU116 1.8 18.0 1.0
NE2 A:HIS25 1.8 30.1 1.0
NE2 A:HIS69 2.1 30.6 1.0
OE2 A:GLU114 2.1 32.5 1.0
NE2 A:HIS32 2.2 35.7 1.0
OE1 A:GLU114 2.4 28.8 1.0
CD A:GLU114 2.6 37.4 1.0
CE1 A:HIS25 2.7 31.3 1.0
CE1 A:HIS32 2.7 36.9 1.0
CD A:GLU116 2.8 31.2 1.0
CD2 A:HIS69 2.9 30.3 1.0
CD2 A:HIS25 3.0 32.8 1.0
CE1 A:HIS69 3.1 37.5 1.0
CD2 A:HIS32 3.5 29.3 1.0
CG A:GLU116 3.7 30.0 1.0
OE1 A:GLU116 3.8 31.2 1.0
ND1 A:HIS25 3.9 25.3 1.0
ND1 A:HIS32 4.0 33.2 1.0
CG A:HIS25 4.0 26.2 1.0
CG A:GLU114 4.1 33.0 1.0
CG A:HIS69 4.1 32.6 1.0
ND1 A:HIS69 4.2 37.5 1.0
O15 A:EIP301 4.3 50.7 1.0
O A:HOH506 4.4 33.3 1.0
CG A:HIS32 4.4 28.6 1.0
C10 A:EIP301 4.5 27.0 1.0
CG1 A:VAL6 4.7 23.0 1.0
CB A:GLU114 4.8 21.8 1.0
C12 A:EIP301 4.9 38.2 1.0

Manganese binding site 2 out of 2 in 1ow2

Go back to Manganese Binding Sites List in 1ow2
Manganese binding site 2 out of 2 in the Structure and Mechanism of Action of Isopentenylpyrophosphate- Dimethylallylpyrophosphate Isomerase: Complex of C67A Mutant with Eipp


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure and Mechanism of Action of Isopentenylpyrophosphate- Dimethylallylpyrophosphate Isomerase: Complex of C67A Mutant with Eipp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn201

b:29.5
occ:1.00
 OE2 B:GLU114 2.0 26.9 1.0
NE2 B:HIS32 2.0 37.1 1.0
NE2 B:HIS25 2.1 30.2 1.0
NE2 B:HIS69 2.1 23.6 1.0
OE2 B:GLU116 2.2 50.3 1.0
OE1 B:GLU114 2.4 30.2 1.0
CD B:GLU114 2.5 30.1 1.0
CE1 B:HIS32 2.9 40.5 1.0
CD2 B:HIS25 2.9 37.5 1.0
CD2 B:HIS69 3.0 27.7 1.0
CD2 B:HIS32 3.1 37.9 1.0
CD B:GLU116 3.1 41.4 1.0
CE1 B:HIS69 3.1 23.1 1.0
CE1 B:HIS25 3.2 29.5 1.0
OE1 B:GLU116 3.7 40.4 1.0
CG B:GLU114 4.0 31.8 1.0
ND1 B:HIS32 4.0 44.6 1.0
CG B:HIS25 4.1 40.2 1.0
CG B:HIS69 4.1 31.1 1.0
CG B:HIS32 4.1 45.2 1.0
ND1 B:HIS69 4.2 34.5 1.0
ND1 B:HIS25 4.2 35.5 1.0
CG B:GLU116 4.3 38.3 1.0
C10 B:EIP301 4.3 46.1 1.0
O15 B:EIP301 4.4 61.9 1.0
O B:HOH616 4.6 26.5 1.0
C12 B:EIP301 4.7 53.8 1.0
CB B:GLU114 4.8 27.0 1.0
CG1 B:VAL6 4.8 21.9 1.0
CB B:ALA34 4.9 14.9 1.0
C11 B:EIP301 4.9 50.4 1.0

Reference:

J.Wouters, Y.Oudjama, V.Stalon, L.Droogmans, C.D.Poulter. Crystal Structure of the C67A Mutant of Isopentenyl Diphosphate Isomerase Complexed with A Mechanism-Based Irreversible Inhibitor Proteins V. 54 216 2004.
ISSN: ISSN 0887-3585
PubMed: 14696183
DOI: 10.1002/PROT.10573
Page generated: Sat Oct 5 12:01:15 2024

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