Manganese in PDB 6ezj: Imidazoleglycerol-Phosphate Dehydratase

All present enzymatic activity of Imidazoleglycerol-Phosphate Dehydratase:
4.2.1.19;

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 48;

Binding sites:

The binding sites of Manganese atom in the Imidazoleglycerol-Phosphate Dehydratase (pdb code 6ezj). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 48 binding sites of Manganese where determined in the Imidazoleglycerol-Phosphate Dehydratase, PDB code: 6ezj:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Manganese binding site 1 out of 48 in the Imidazoleglycerol-Phosphate Dehydratase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Imidazoleglycerol-Phosphate Dehydratase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:0.7 occ:1.00 OE1 A:GLU173 2.2 38.3 1.0 NE2 A:HIS169 2.3 37.1 1.0 NE2 A:HIS47 2.3 44.0 1.0 NE2 Q:HIS74 2.3 43.8 1.0 N1 A:5LD402 2.6 87.2 1.0 CD A:GLU173 2.8 38.3 1.0 OE2 A:GLU173 2.9 38.3 1.0 CE1 A:HIS169 3.1 37.1 1.0 CE1 Q:HIS74 3.1 43.8 1.0 CE1 A:HIS47 3.2 44.0 1.0 CD2 A:HIS169 3.3 37.1 1.0 CD2 A:HIS47 3.3 44.0 1.0 C6 A:5LD402 3.3 87.2 1.0 N2 A:5LD402 3.4 87.2 1.0 CD2 Q:HIS74 3.4 43.8 1.0 O13 A:5LD402 3.5 87.2 1.0 C5 A:5LD402 3.7 87.2 1.0 C7 A:5LD402 4.0 87.2 1.0 CG A:GLU173 4.3 38.3 1.0 ND1 A:HIS169 4.3 37.1 1.0 ND1 A:HIS47 4.3 44.0 1.0 ND1 Q:HIS74 4.3 43.8 1.0 CG A:HIS169 4.4 37.1 1.0 CG A:HIS47 4.4 44.0 1.0 CG Q:HIS74 4.5 43.8 1.0 C3 A:5LD402 4.5 87.2 1.0 N4 A:5LD402 4.7 87.2 1.0 CB A:GLU173 4.8 38.3 1.0

Manganese binding site 2 out of 48 in the Imidazoleglycerol-Phosphate Dehydratase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Imidazoleglycerol-Phosphate Dehydratase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn403 b:39.4 occ:1.00 NE2 A:HIS73 2.1 44.3 1.0 OE2 A:GLU77 2.2 43.9 1.0 NE2 U:HIS170 2.2 34.8 1.0 NE2 A:HIS145 2.3 39.0 1.0 CE1 A:HIS73 2.7 44.3 1.0 N4 U:5LD303 2.7 93.5 1.0 CE1 A:HIS145 2.8 39.0 1.0 CE1 U:HIS170 2.8 34.8 1.0 CD A:GLU77 3.3 43.9 1.0 CD2 A:HIS73 3.4 44.3 1.0 CD2 A:HIS145 3.4 39.0 1.0 CD2 U:HIS170 3.5 34.8 1.0 C5 U:5LD303 3.7 93.5 1.0 C3 U:5LD303 3.7 93.5 1.0 ND1 A:HIS145 3.9 39.0 1.0 CG A:GLU77 3.9 43.9 1.0 ND1 A:HIS73 3.9 44.3 1.0 ND1 U:HIS170 4.1 34.8 1.0 CG A:HIS145 4.2 39.0 1.0 OE1 A:GLU77 4.3 43.9 1.0 CG A:HIS73 4.3 44.3 1.0 CG U:HIS170 4.4 34.8 1.0 N2 U:5LD303 4.8 93.5 1.0 N1 U:5LD303 4.9 93.5 1.0 ND2 U:ASN167 4.9 33.6 1.0

Manganese binding site 3 out of 48 in the Imidazoleglycerol-Phosphate Dehydratase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Imidazoleglycerol-Phosphate Dehydratase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn401 b:0.6 occ:1.00 OE1 B:GLU173 2.2 35.3 1.0 NE2 B:HIS169 2.3 34.0 1.0 NE2 B:HIS47 2.3 39.9 1.0 NE2 N:HIS74 2.3 43.2 1.0 N1 B:5LD402 2.6 81.6 1.0 CD B:GLU173 2.9 35.3 1.0 OE2 B:GLU173 2.9 35.3 1.0 CE1 B:HIS169 3.1 34.0 1.0 CE1 N:HIS74 3.1 43.2 1.0 CE1 B:HIS47 3.2 39.9 1.0 CD2 B:HIS169 3.3 34.0 1.0 C6 B:5LD402 3.3 81.6 1.0 CD2 B:HIS47 3.3 39.9 1.0 N2 B:5LD402 3.4 81.6 1.0 CD2 N:HIS74 3.4 43.2 1.0 O13 B:5LD402 3.5 81.6 1.0 C5 B:5LD402 3.7 81.6 1.0 C7 B:5LD402 4.0 81.6 1.0 ND1 B:HIS169 4.3 34.0 1.0 CG B:GLU173 4.3 35.3 1.0 ND1 B:HIS47 4.3 39.9 1.0 ND1 N:HIS74 4.3 43.2 1.0 CG B:HIS169 4.4 34.0 1.0 CG B:HIS47 4.4 39.9 1.0 C3 B:5LD402 4.5 81.6 1.0 CG N:HIS74 4.5 43.2 1.0 N4 B:5LD402 4.6 81.6 1.0 CB B:GLU173 4.8 35.3 1.0

Manganese binding site 4 out of 48 in the Imidazoleglycerol-Phosphate Dehydratase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Imidazoleglycerol-Phosphate Dehydratase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn403 b:41.1 occ:1.00 NE2 B:HIS73 2.1 42.0 1.0 OE2 B:GLU77 2.2 41.3 1.0 NE2 F:HIS170 2.3 36.5 1.0 NE2 B:HIS145 2.3 36.1 1.0 CE1 B:HIS73 2.6 42.0 1.0 N4 F:5LD402 2.7 1.0 1.0 CE1 B:HIS145 2.8 36.1 1.0 CE1 F:HIS170 2.9 36.5 1.0 CD B:GLU77 3.3 41.3 1.0 CD2 B:HIS73 3.4 42.0 1.0 CD2 B:HIS145 3.4 36.1 1.0 CD2 F:HIS170 3.5 36.5 1.0 C5 F:5LD402 3.7 1.0 1.0 C3 F:5LD402 3.7 1.0 1.0 ND1 B:HIS145 3.8 36.1 1.0 CG B:GLU77 3.9 41.3 1.0 ND1 B:HIS73 3.9 42.0 1.0 ND1 F:HIS170 4.1 36.5 1.0 CG B:HIS145 4.2 36.1 1.0 CG B:HIS73 4.2 42.0 1.0 OE1 B:GLU77 4.3 41.3 1.0 CG F:HIS170 4.5 36.5 1.0 N2 F:5LD402 4.8 1.0 1.0 N1 F:5LD402 4.8 1.0 1.0 ND2 F:ASN167 4.9 35.5 1.0

Manganese binding site 5 out of 48 in the Imidazoleglycerol-Phosphate Dehydratase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Imidazoleglycerol-Phosphate Dehydratase within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn401 b:61.0 occ:1.00 OE1 C:GLU173 2.2 37.2 1.0 NE2 C:HIS169 2.3 35.6 1.0 NE2 C:HIS47 2.3 42.3 1.0 NE2 W:HIS74 2.3 42.2 1.0 N1 C:5LD402 2.6 56.2 1.0 CD C:GLU173 2.8 37.2 1.0 OE2 C:GLU173 2.9 37.2 1.0 CE1 W:HIS74 3.1 42.2 1.0 CE1 C:HIS169 3.1 35.6 1.0 CE1 C:HIS47 3.2 42.3 1.0 CD2 C:HIS169 3.3 35.6 1.0 CD2 C:HIS47 3.3 42.3 1.0 C6 C:5LD402 3.3 56.2 1.0 N2 C:5LD402 3.4 56.2 1.0 CD2 W:HIS74 3.4 42.2 1.0 O13 C:5LD402 3.5 56.2 1.0 C5 C:5LD402 3.7 56.2 1.0 C7 C:5LD402 4.0 56.2 1.0 CG C:GLU173 4.3 37.2 1.0 ND1 C:HIS169 4.3 35.6 1.0 ND1 C:HIS47 4.3 42.3 1.0 ND1 W:HIS74 4.3 42.2 1.0 CG C:HIS169 4.4 35.6 1.0 CG C:HIS47 4.4 42.3 1.0 CG W:HIS74 4.5 42.2 1.0 C3 C:5LD402 4.5 56.2 1.0 N4 C:5LD402 4.6 56.2 1.0 CB C:GLU173 4.8 37.2 1.0

Manganese binding site 6 out of 48 in the Imidazoleglycerol-Phosphate Dehydratase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of Imidazoleglycerol-Phosphate Dehydratase within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn403 b:33.6 occ:1.00 NE2 C:HIS73 2.1 43.7 1.0 OE2 C:GLU77 2.2 43.3 1.0 NE2 S:HIS170 2.3 36.8 1.0 NE2 C:HIS145 2.4 38.2 1.0 CE1 C:HIS73 2.6 43.7 1.0 N4 S:5LD303 2.8 92.0 1.0 CE1 C:HIS145 2.8 38.2 1.0 CE1 S:HIS170 2.8 36.8 1.0 CD C:GLU77 3.3 43.3 1.0 CD2 C:HIS73 3.4 43.7 1.0 CD2 C:HIS145 3.4 38.2 1.0 CD2 S:HIS170 3.5 36.8 1.0 C5 S:5LD303 3.7 92.0 1.0 C3 S:5LD303 3.7 92.0 1.0 ND1 C:HIS145 3.9 38.2 1.0 CG C:GLU77 3.9 43.3 1.0 ND1 C:HIS73 3.9 43.7 1.0 ND1 S:HIS170 4.1 36.8 1.0 CG C:HIS145 4.2 38.2 1.0 CG C:HIS73 4.2 43.7 1.0 OE1 C:GLU77 4.3 43.3 1.0 CG S:HIS170 4.4 36.8 1.0 N2 S:5LD303 4.8 92.0 1.0 N1 S:5LD303 4.9 92.0 1.0 ND2 S:ASN167 4.9 35.6 1.0

Manganese binding site 7 out of 48 in the Imidazoleglycerol-Phosphate Dehydratase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 7 of Imidazoleglycerol-Phosphate Dehydratase within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn401 b:81.3 occ:1.00 OE1 D:GLU173 2.2 37.9 1.0 NE2 D:HIS169 2.3 36.6 1.0 NE2 H:HIS74 2.3 43.7 1.0 NE2 D:HIS47 2.3 43.8 1.0 N1 D:5LD402 2.6 57.4 1.0 CD D:GLU173 2.9 37.9 1.0 OE2 D:GLU173 2.9 37.9 1.0 CE1 H:HIS74 3.1 43.7 1.0 CE1 D:HIS169 3.1 36.6 1.0 CE1 D:HIS47 3.2 43.8 1.0 CD2 D:HIS169 3.3 36.6 1.0 C6 D:5LD402 3.3 57.4 1.0 CD2 D:HIS47 3.3 43.8 1.0 N2 D:5LD402 3.4 57.4 1.0 CD2 H:HIS74 3.4 43.7 1.0 O13 D:5LD402 3.5 57.4 1.0 C5 D:5LD402 3.7 57.4 1.0 C7 D:5LD402 4.0 57.4 1.0 ND1 D:HIS169 4.3 36.6 1.0 CG D:GLU173 4.3 37.9 1.0 ND1 D:HIS47 4.3 43.8 1.0 ND1 H:HIS74 4.3 43.7 1.0 CG D:HIS169 4.4 36.6 1.0 CG D:HIS47 4.4 43.8 1.0 CG H:HIS74 4.5 43.7 1.0 C3 D:5LD402 4.5 57.4 1.0 N4 D:5LD402 4.7 57.4 1.0 CB D:GLU173 4.8 37.9 1.0

Manganese binding site 8 out of 48 in the Imidazoleglycerol-Phosphate Dehydratase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of Imidazoleglycerol-Phosphate Dehydratase within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn403 b:28.6 occ:1.00 NE2 D:HIS73 2.1 44.2 1.0 OE2 D:GLU77 2.2 43.3 1.0 NE2 X:HIS170 2.2 35.5 1.0 NE2 D:HIS145 2.3 38.9 1.0 CE1 D:HIS73 2.6 44.2 1.0 N4 X:5LD303 2.7 79.2 1.0 CE1 D:HIS145 2.8 38.9 1.0 CE1 X:HIS170 2.8 35.5 1.0 CD D:GLU77 3.3 43.3 1.0 CD2 D:HIS73 3.4 44.2 1.0 CD2 D:HIS145 3.4 38.9 1.0 CD2 X:HIS170 3.5 35.5 1.0 C5 X:5LD303 3.7 79.2 1.0 C3 X:5LD303 3.7 79.2 1.0 ND1 D:HIS145 3.9 38.9 1.0 CG D:GLU77 3.9 43.3 1.0 ND1 D:HIS73 3.9 44.2 1.0 ND1 X:HIS170 4.1 35.5 1.0 CG D:HIS145 4.2 38.9 1.0 CG D:HIS73 4.3 44.2 1.0 OE1 D:GLU77 4.3 43.3 1.0 CG X:HIS170 4.4 35.5 1.0 N2 X:5LD303 4.8 79.2 1.0 N1 X:5LD303 4.9 79.2 1.0 ND2 X:ASN167 4.9 34.4 1.0

Manganese binding site 9 out of 48 in the Imidazoleglycerol-Phosphate Dehydratase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 9 of Imidazoleglycerol-Phosphate Dehydratase within 5.0Å range: probe atom residue distance (Å) B Occ E:Mn401 b:0.7 occ:1.00 OE1 E:GLU173 2.2 35.9 1.0 NE2 E:HIS169 2.2 34.0 1.0 NE2 R:HIS74 2.3 46.5 1.0 NE2 E:HIS47 2.3 41.3 1.0 N1 E:5LD402 2.6 89.1 1.0 CD E:GLU173 2.9 35.9 1.0 OE2 E:GLU173 2.9 35.9 1.0 CE1 E:HIS169 3.1 34.0 1.0 CE1 R:HIS74 3.1 46.5 1.0 CE1 E:HIS47 3.2 41.3 1.0 CD2 E:HIS169 3.3 34.0 1.0 C6 E:5LD402 3.3 89.1 1.0 CD2 E:HIS47 3.3 41.3 1.0 N2 E:5LD402 3.4 89.1 1.0 CD2 R:HIS74 3.4 46.5 1.0 O13 E:5LD402 3.5 89.1 1.0 C5 E:5LD402 3.7 89.1 1.0 C7 E:5LD402 4.0 89.1 1.0 ND1 E:HIS169 4.3 34.0 1.0 CG E:GLU173 4.3 35.9 1.0 ND1 R:HIS74 4.3 46.5 1.0 ND1 E:HIS47 4.3 41.3 1.0 CG E:HIS169 4.4 34.0 1.0 CG E:HIS47 4.4 41.3 1.0 CG R:HIS74 4.5 46.5 1.0 C3 E:5LD402 4.5 89.1 1.0 N4 E:5LD402 4.7 89.1 1.0 CB E:GLU173 4.8 35.9 1.0

Manganese binding site 10 out of 48 in the Imidazoleglycerol-Phosphate Dehydratase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 10 of Imidazoleglycerol-Phosphate Dehydratase within 5.0Å range: probe atom residue distance (Å) B Occ E:Mn403 b:38.6 occ:1.00 NE2 E:HIS73 2.1 43.9 1.0 OE2 E:GLU77 2.2 43.1 1.0 NE2 T:HIS170 2.3 36.2 1.0 NE2 E:HIS145 2.3 37.4 1.0 CE1 E:HIS73 2.6 43.9 1.0 N4 T:5LD303 2.7 95.4 1.0 CE1 E:HIS145 2.8 37.4 1.0 CE1 T:HIS170 2.9 36.2 1.0 CD E:GLU77 3.3 43.1 1.0 CD2 E:HIS73 3.4 43.9 1.0 CD2 E:HIS145 3.4 37.4 1.0 CD2 T:HIS170 3.5 36.2 1.0 C5 T:5LD303 3.7 95.4 1.0 C3 T:5LD303 3.7 95.4 1.0 ND1 E:HIS145 3.8 37.4 1.0 CG E:GLU77 3.9 43.1 1.0 ND1 E:HIS73 3.9 43.9 1.0 ND1 T:HIS170 4.1 36.2 1.0 CG E:HIS145 4.2 37.4 1.0 CG E:HIS73 4.3 43.9 1.0 OE1 E:GLU77 4.3 43.1 1.0 CG T:HIS170 4.5 36.2 1.0 N2 T:5LD303 4.8 95.4 1.0 N1 T:5LD303 4.8 95.4 1.0 ND2 T:ASN167 4.9 35.2 1.0

S.Rawson, C.Bisson, D.L.Hurdiss, A.Fazal, M.J.Mcphillie, S.E.Sedelnikova, P.J.Baker, D.W.Rice, S.P.Muench. Elucidating the Structural Basis For Differing Enzyme Inhibitor Potency By Cryo-Em. Proc. Natl. Acad. Sci. V. 115 1795 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 29434040
DOI: 10.1073/PNAS.1708839115