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Manganese in PDB 1x84: Ipp Isomerase (Wt) Reacted with (S)-Bromohydrine of Ipp

Enzymatic activity of Ipp Isomerase (Wt) Reacted with (S)-Bromohydrine of Ipp

All present enzymatic activity of Ipp Isomerase (Wt) Reacted with (S)-Bromohydrine of Ipp:
5.3.3.2;

Protein crystallography data

The structure of Ipp Isomerase (Wt) Reacted with (S)-Bromohydrine of Ipp, PDB code: 1x84 was solved by J.Wouters, E.Oldfield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 1.78
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 69.090, 71.880, 92.730, 90.00, 90.00, 90.00
R / Rfree (%) 20.9 / 25.2

Other elements in 1x84:

The structure of Ipp Isomerase (Wt) Reacted with (S)-Bromohydrine of Ipp also contains other interesting chemical elements:

Bromine (Br) 1 atom
Magnesium (Mg) 2 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Ipp Isomerase (Wt) Reacted with (S)-Bromohydrine of Ipp (pdb code 1x84). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Ipp Isomerase (Wt) Reacted with (S)-Bromohydrine of Ipp, PDB code: 1x84:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 1x84

Go back to Manganese Binding Sites List in 1x84
Manganese binding site 1 out of 2 in the Ipp Isomerase (Wt) Reacted with (S)-Bromohydrine of Ipp


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Ipp Isomerase (Wt) Reacted with (S)-Bromohydrine of Ipp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn201

b:16.3
occ:1.00
NE2 A:HIS25 2.0 15.0 1.0
NE2 A:HIS69 2.1 19.6 1.0
OE2 A:GLU116 2.1 21.6 1.0
OE1 A:GLU114 2.1 21.4 1.0
NE2 A:HIS32 2.1 18.5 1.0
OE2 A:GLU114 2.2 20.8 1.0
CD A:GLU114 2.5 25.2 1.0
CE1 A:HIS69 2.9 21.1 1.0
CE1 A:HIS32 3.0 22.9 1.0
CD2 A:HIS25 3.0 18.6 1.0
CE1 A:HIS25 3.1 15.1 1.0
CD2 A:HIS69 3.2 22.7 1.0
CD A:GLU116 3.2 26.1 1.0
CD2 A:HIS32 3.3 23.3 1.0
CG A:GLU116 3.9 22.2 1.0
CG A:GLU114 4.0 18.6 1.0
ND1 A:HIS69 4.1 20.4 1.0
ND1 A:HIS32 4.1 18.7 1.0
ND1 A:HIS25 4.2 22.0 1.0
CG A:HIS25 4.2 21.3 1.0
OE1 A:GLU116 4.2 33.7 1.0
CG A:HIS69 4.3 20.1 1.0
O A:HOH8009 4.3 23.0 1.0
CG A:HIS32 4.3 18.5 1.0
C1 A:SBH301 4.4 27.8 0.7
O8 A:SBH301 4.5 9.0 0.3
C1 A:SBH301 4.6 26.9 0.3
C4 A:SBH301 4.7 25.3 0.7
C2 A:SBH301 4.7 31.1 0.7
CB A:GLU114 4.8 22.0 1.0
C2 A:SBH301 4.9 29.9 0.3
CG1 A:VAL6 4.9 19.1 1.0

Manganese binding site 2 out of 2 in 1x84

Go back to Manganese Binding Sites List in 1x84
Manganese binding site 2 out of 2 in the Ipp Isomerase (Wt) Reacted with (S)-Bromohydrine of Ipp


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Ipp Isomerase (Wt) Reacted with (S)-Bromohydrine of Ipp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn201

b:20.4
occ:1.00
NE2 B:HIS69 2.0 25.9 1.0
OE2 B:GLU116 2.0 25.8 1.0
OE2 B:GLU114 2.0 23.3 1.0
NE2 B:HIS25 2.1 26.5 1.0
NE2 B:HIS32 2.1 29.7 1.0
OE1 B:GLU114 2.2 22.8 1.0
CD B:GLU114 2.5 16.5 1.0
CE1 B:HIS69 2.9 27.3 1.0
CE1 B:HIS25 3.1 32.9 1.0
CD2 B:HIS25 3.1 36.6 1.0
CD2 B:HIS69 3.1 26.5 1.0
CD2 B:HIS32 3.1 28.0 1.0
CE1 B:HIS32 3.1 28.8 1.0
CD B:GLU116 3.1 31.0 1.0
CG B:GLU116 3.8 28.9 1.0
CG B:GLU114 4.0 19.6 1.0
ND1 B:HIS69 4.1 26.7 1.0
OE1 B:GLU116 4.1 30.2 1.0
ND1 B:HIS25 4.2 36.6 1.0
CG B:HIS69 4.2 23.1 1.0
CG B:HIS25 4.2 31.5 1.0
ND1 B:HIS32 4.2 24.2 1.0
CG B:HIS32 4.3 25.4 1.0
C1 B:SBH301 4.4 38.8 1.0
C2 B:SBH301 4.5 46.0 1.0
CG1 B:VAL6 4.8 33.6 1.0
CB B:GLU114 4.8 14.6 1.0

Reference:

J.Wouters, F.Yin, Y.Song, Y.Zhang, Y.Oudjama, V.Stalon, L.Droogmans, C.T.Morita, E.Oldfield. A Crystallographic Investigation of Phosphoantigen Binding to Isopentenyl Pyrophosphate/Dimethylallyl Pyrophosphate Isomerase J.Am.Chem.Soc. V. 127 536 2005.
ISSN: ISSN 0002-7863
PubMed: 15643873
DOI: 10.1021/JA040207I
Page generated: Tue Dec 15 03:57:48 2020

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