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Manganese in PDB 4lpf: Crystal Structure of Mycobacterium Tuberculosis Imidazole Glycerol Phosphate Dehydratase in Complex with An Inhibitor

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Imidazole Glycerol Phosphate Dehydratase in Complex with An Inhibitor

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Imidazole Glycerol Phosphate Dehydratase in Complex with An Inhibitor:
4.2.1.19;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Imidazole Glycerol Phosphate Dehydratase in Complex with An Inhibitor, PDB code: 4lpf was solved by M.S.Ahangar, R.Vyas, N.Nasir, B.K.Biswal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.12 / 2.30
Space group P 4 3 2
Cell size a, b, c (Å), α, β, γ (°) 112.211, 112.211, 112.211, 90.00, 90.00, 90.00
R / Rfree (%) 18.6 / 22.1

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of Mycobacterium Tuberculosis Imidazole Glycerol Phosphate Dehydratase in Complex with An Inhibitor (pdb code 4lpf). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 3 binding sites of Manganese where determined in the Crystal Structure of Mycobacterium Tuberculosis Imidazole Glycerol Phosphate Dehydratase in Complex with An Inhibitor, PDB code: 4lpf:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in 4lpf

Go back to Manganese Binding Sites List in 4lpf
Manganese binding site 1 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Imidazole Glycerol Phosphate Dehydratase in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Mycobacterium Tuberculosis Imidazole Glycerol Phosphate Dehydratase in Complex with An Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn302

b:23.1
occ:1.00
O A:HOH525 2.2 17.6 1.0
NE2 A:HIS73 2.2 19.1 1.0
N4 A:3TR301 2.2 31.4 1.0
NE2 A:HIS152 2.2 20.4 1.0
OE1 A:GLU77 2.3 23.7 1.0
CD A:GLU77 3.1 23.4 1.0
CD2 A:HIS152 3.1 20.4 1.0
CE1 A:HIS73 3.2 18.8 1.0
C5 A:3TR301 3.2 31.4 1.0
CD2 A:HIS73 3.2 18.9 1.0
C3 A:3TR301 3.3 31.8 1.0
CE1 A:HIS152 3.3 20.7 1.0
OE2 A:GLU77 3.4 24.4 1.0
N3A A:3TR301 3.6 32.5 1.0
ND1 A:HIS73 4.3 19.1 1.0
CG A:GLU77 4.3 22.7 1.0
CG A:HIS152 4.3 20.5 1.0
CG A:HIS73 4.3 19.2 1.0
N1 A:3TR301 4.3 31.5 1.0
ND1 A:HIS152 4.4 20.9 1.0
N2 A:3TR301 4.4 32.2 1.0
CB A:GLU77 4.7 21.9 1.0

Manganese binding site 2 out of 3 in 4lpf

Go back to Manganese Binding Sites List in 4lpf
Manganese binding site 2 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Imidazole Glycerol Phosphate Dehydratase in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Mycobacterium Tuberculosis Imidazole Glycerol Phosphate Dehydratase in Complex with An Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn303

b:23.8
occ:1.00
NE2 A:HIS176 2.2 18.8 1.0
OE1 A:GLU180 2.3 19.6 1.0
NE2 A:HIS47 2.3 21.3 1.0
CE1 A:HIS176 3.1 19.1 1.0
CD2 A:HIS176 3.2 19.1 1.0
CD A:GLU180 3.2 19.3 1.0
CD2 A:HIS47 3.2 21.0 1.0
CE1 A:HIS47 3.3 21.2 1.0
OE2 A:GLU180 3.4 20.3 1.0
ND1 A:HIS176 4.2 18.8 1.0
CG A:HIS176 4.3 18.6 1.0
ND1 A:HIS47 4.4 21.2 1.0
CG A:HIS47 4.4 20.6 1.0
CG A:GLU180 4.6 18.6 1.0
CE A:MET107 4.7 24.1 1.0
CE A:MET48 4.8 19.0 1.0
CB A:GLU180 5.0 17.6 1.0

Manganese binding site 3 out of 3 in 4lpf

Go back to Manganese Binding Sites List in 4lpf
Manganese binding site 3 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Imidazole Glycerol Phosphate Dehydratase in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of Mycobacterium Tuberculosis Imidazole Glycerol Phosphate Dehydratase in Complex with An Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn304

b:40.6
occ:0.33
NH2 A:ARG168 3.2 18.8 1.0
O A:HOH566 3.4 27.1 0.3
NH1 A:ARG168 3.6 18.7 1.0
CZ A:ARG168 3.9 18.7 1.0
CZ A:PHE104 4.0 15.9 1.0
CE1 A:PHE104 4.4 16.1 1.0
CD1 A:LEU170 4.9 14.9 1.0

Reference:

M.S.Ahangar, R.Vyas, N.Nasir, B.K.Biswal. Crystal Structures of the Native, Substrate- Bound and Inhibited Forms of Mycobacterium Tuberculosis Imidazole Glycerol Phosphate Dehydratase Acta Crystallogr.,Sect.D 2013.
ISSN: ISSN 0907-4449
Page generated: Tue Dec 15 04:23:48 2020

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