Manganese in PDB 6fwh: Acanthamoeba Igpd in Complex with R-C348 to 1.7A Resolution

All present enzymatic activity of Acanthamoeba Igpd in Complex with R-C348 to 1.7A Resolution:
4.2.1.19;

The structure of Acanthamoeba Igpd in Complex with R-C348 to 1.7A Resolution, PDB code: 6fwh was solved by C.W.Roberts, C.Bisson, P.J.Baker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	95.44 / 1.79
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	167.690, 156.100, 117.120, 90.00, 125.42, 90.00
R / Rfree (%)	14.9 / 19

The structure of Acanthamoeba Igpd in Complex with R-C348 to 1.7A Resolution also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Manganese atom in the Acanthamoeba Igpd in Complex with R-C348 to 1.7A Resolution (pdb code 6fwh). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 24 binding sites of Manganese where determined in the Acanthamoeba Igpd in Complex with R-C348 to 1.7A Resolution, PDB code: 6fwh:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Manganese binding site 1 out of 24 in the Acanthamoeba Igpd in Complex with R-C348 to 1.7A Resolution


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Acanthamoeba Igpd in Complex with R-C348 to 1.7A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:11.7 occ:1.00 OE1 A:GLU166 2.1 14.9 1.0 NE2 A:HIS40 2.3 12.5 1.0 O13 A:5LD203 2.3 14.5 1.0 NE2 A:HIS162 2.3 8.0 1.0 N1 A:5LD203 2.3 12.4 1.0 NE2 F:HIS67 2.3 14.2 1.0 CD A:GLU166 3.1 23.1 1.0 CE1 A:HIS162 3.2 9.6 1.0 CE1 F:HIS67 3.2 10.2 1.0 CD2 A:HIS40 3.2 17.1 1.0 CE1 A:HIS40 3.2 18.4 1.0 C7 A:5LD203 3.3 11.1 1.0 C5 A:5LD203 3.3 17.3 1.0 CD2 A:HIS162 3.3 10.8 1.0 CD2 F:HIS67 3.4 14.7 1.0 N2 A:5LD203 3.4 14.2 1.0 OE2 A:GLU166 3.5 21.6 1.0 C6 A:5LD203 3.7 11.4 1.0 OE2 F:GLU14 4.3 16.1 1.0 ND1 A:HIS162 4.4 12.2 1.0 ND1 A:HIS40 4.4 9.7 1.0 CG A:HIS40 4.4 9.8 1.0 ND1 F:HIS67 4.4 17.5 1.0 CG A:GLU166 4.4 17.1 1.0 N4 A:5LD203 4.4 11.2 1.0 CG A:HIS162 4.4 11.0 1.0 CG F:HIS67 4.5 13.7 1.0 C3 A:5LD203 4.5 16.1 1.0 C8 A:5LD203 4.6 14.3 1.0 CB A:GLU166 4.9 14.8 1.0 CD1 A:LEU100 5.0 14.0 1.0

Manganese binding site 2 out of 24 in the Acanthamoeba Igpd in Complex with R-C348 to 1.7A Resolution


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Acanthamoeba Igpd in Complex with R-C348 to 1.7A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:11.2 occ:1.00 O B:HOH318 2.2 9.2 1.0 NE2 A:HIS66 2.2 6.5 1.0 OE1 A:GLU70 2.2 12.2 1.0 NE2 B:HIS163 2.3 12.6 1.0 N4 B:5LD203 2.3 11.2 1.0 NE2 A:HIS138 2.3 9.3 1.0 CD A:GLU70 3.1 23.4 1.0 CE1 A:HIS66 3.1 15.4 1.0 CE1 B:HIS163 3.1 11.1 1.0 C3 B:5LD203 3.2 14.2 1.0 CD2 A:HIS66 3.3 14.8 1.0 CD2 A:HIS138 3.3 13.8 1.0 CD2 B:HIS163 3.3 12.1 1.0 CE1 A:HIS138 3.3 15.0 1.0 C5 B:5LD203 3.3 10.6 1.0 OE2 A:GLU70 3.5 14.5 1.0 OD2 B:ASP101 4.3 14.5 1.0 ND1 A:HIS66 4.3 10.4 1.0 ND1 B:HIS163 4.3 11.6 1.0 N2 B:5LD203 4.3 14.6 1.0 CG A:GLU70 4.3 13.1 1.0 CG A:HIS66 4.4 13.2 1.0 CG A:HIS138 4.4 17.3 1.0 CG B:HIS163 4.4 12.8 1.0 ND1 A:HIS138 4.4 11.4 1.0 N1 B:5LD203 4.5 10.9 1.0 CD2 B:LEU100 4.5 17.2 1.0 CB A:GLU70 4.6 12.1 1.0

Manganese binding site 3 out of 24 in the Acanthamoeba Igpd in Complex with R-C348 to 1.7A Resolution


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Acanthamoeba Igpd in Complex with R-C348 to 1.7A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn201 b:12.4 occ:1.00 OE1 B:GLU166 2.2 13.5 1.0 O13 B:5LD203 2.2 10.0 1.0 N1 B:5LD203 2.3 10.9 1.0 NE2 A:HIS67 2.3 12.8 1.0 NE2 B:HIS40 2.3 12.6 1.0 NE2 B:HIS162 2.3 13.4 1.0 CE1 A:HIS67 3.1 10.8 1.0 CD B:GLU166 3.2 19.3 1.0 C5 B:5LD203 3.2 10.6 1.0 C7 B:5LD203 3.2 15.2 1.0 CE1 B:HIS40 3.2 14.5 1.0 CD2 B:HIS40 3.3 15.7 1.0 CE1 B:HIS162 3.3 13.5 1.0 CD2 B:HIS162 3.3 15.4 1.0 CD2 A:HIS67 3.4 8.7 1.0 N2 B:5LD203 3.4 14.6 1.0 OE2 B:GLU166 3.5 19.6 1.0 C6 B:5LD203 3.6 15.1 1.0 ND1 A:HIS67 4.3 14.9 1.0 OE2 A:GLU14 4.4 18.3 1.0 ND1 B:HIS40 4.4 13.1 1.0 ND1 B:HIS162 4.4 13.4 1.0 CG B:HIS40 4.4 11.6 1.0 N4 B:5LD203 4.4 11.2 1.0 CG A:HIS67 4.5 10.7 1.0 CG B:GLU166 4.5 12.4 1.0 CG B:HIS162 4.5 12.1 1.0 C3 B:5LD203 4.5 14.2 1.0 C8 B:5LD203 4.6 8.0 1.0 CB B:GLU166 4.9 13.1 1.0 CD1 B:LEU100 5.0 10.9 1.0

Manganese binding site 4 out of 24 in the Acanthamoeba Igpd in Complex with R-C348 to 1.7A Resolution


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Acanthamoeba Igpd in Complex with R-C348 to 1.7A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn202 b:11.8 occ:1.00 OE1 B:GLU70 2.2 12.1 1.0 NE2 B:HIS66 2.2 10.0 1.0 O G:HOH318 2.2 10.8 1.0 NE2 G:HIS163 2.2 11.8 1.0 NE2 B:HIS138 2.3 14.1 1.0 N4 B:5LD204 2.3 11.9 1.0 CE1 B:HIS66 3.1 10.5 1.0 CD B:GLU70 3.1 19.0 1.0 CE1 G:HIS163 3.2 13.3 1.0 CD2 B:HIS138 3.2 16.8 1.0 C3 B:5LD204 3.2 14.4 1.0 CD2 B:HIS66 3.2 16.8 1.0 CE1 B:HIS138 3.3 11.7 1.0 CD2 G:HIS163 3.3 11.1 1.0 C5 B:5LD204 3.3 10.8 1.0 OE2 B:GLU70 3.6 14.5 1.0 ND1 B:HIS66 4.3 8.0 1.0 OD2 G:ASP101 4.3 19.6 1.0 ND1 G:HIS163 4.3 9.4 1.0 ND1 B:HIS138 4.3 13.3 1.0 CG B:HIS138 4.3 13.0 1.0 N2 B:5LD204 4.3 14.1 1.0 CG B:HIS66 4.3 9.1 1.0 CG B:GLU70 4.4 12.1 1.0 CG G:HIS163 4.4 11.9 1.0 CD2 G:LEU100 4.4 16.9 1.0 N1 B:5LD204 4.5 13.0 1.0 CB B:GLU70 4.6 14.5 1.0

Manganese binding site 5 out of 24 in the Acanthamoeba Igpd in Complex with R-C348 to 1.7A Resolution


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Acanthamoeba Igpd in Complex with R-C348 to 1.7A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn201 b:14.8 occ:1.00 OE1 C:GLU166 2.1 13.3 1.0 O13 C:5LD204 2.2 16.6 1.0 N1 C:5LD204 2.3 14.7 1.0 NE2 C:HIS40 2.3 15.7 1.0 NE2 C:HIS162 2.3 14.5 1.0 CD C:GLU166 3.1 23.8 1.0 C5 C:5LD204 3.2 15.5 1.0 C7 C:5LD204 3.2 17.2 1.0 CE1 C:HIS162 3.3 15.5 1.0 CD2 C:HIS40 3.3 14.5 1.0 CE1 C:HIS40 3.3 21.9 1.0 CD2 C:HIS162 3.3 15.4 1.0 N2 C:5LD204 3.4 17.2 1.0 OE2 C:GLU166 3.5 20.6 1.0 C6 C:5LD204 3.7 18.3 1.0 ND1 C:HIS40 4.4 14.2 1.0 ND1 C:HIS162 4.4 15.0 1.0 CG C:HIS40 4.4 12.2 1.0 N4 C:5LD204 4.4 11.1 1.0 CG C:GLU166 4.4 18.7 1.0 CG C:HIS162 4.5 13.3 1.0 C3 C:5LD204 4.5 16.7 1.0 C8 C:5LD204 4.6 15.3 1.0 CB C:GLU166 4.9 12.4 1.0

Manganese binding site 6 out of 24 in the Acanthamoeba Igpd in Complex with R-C348 to 1.7A Resolution


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of Acanthamoeba Igpd in Complex with R-C348 to 1.7A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn202 b:13.7 occ:1.00 NE2 C:HIS163 2.3 11.5 1.0 N4 C:5LD204 2.3 11.1 1.0 C3 C:5LD204 3.2 16.7 1.0 CE1 C:HIS163 3.2 12.4 1.0 CD2 C:HIS163 3.3 17.4 1.0 C5 C:5LD204 3.3 15.5 1.0 OD2 C:ASP101 4.2 18.7 1.0 N2 C:5LD204 4.3 17.2 1.0 ND1 C:HIS163 4.4 9.2 1.0 CD2 C:LEU100 4.4 17.1 1.0 CG C:HIS163 4.4 10.8 1.0 N1 C:5LD204 4.5 14.7 1.0

Manganese binding site 7 out of 24 in the Acanthamoeba Igpd in Complex with R-C348 to 1.7A Resolution


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 7 of Acanthamoeba Igpd in Complex with R-C348 to 1.7A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn203 b:12.2 occ:1.00 O J:HOH321 2.1 10.7 1.0 OE1 C:GLU70 2.2 13.5 1.0 NE2 J:HIS163 2.2 13.9 1.0 NE2 C:HIS66 2.3 10.9 1.0 N4 J:5LD202 2.3 12.2 1.0 NE2 C:HIS138 2.3 10.0 1.0 CD C:GLU70 3.1 18.2 1.0 C3 J:5LD202 3.2 11.4 1.0 CE1 J:HIS163 3.2 14.8 1.0 CE1 C:HIS66 3.2 15.0 1.0 CE1 C:HIS138 3.3 15.3 1.0 CD2 C:HIS138 3.3 12.2 1.0 CD2 J:HIS163 3.3 12.7 1.0 CD2 C:HIS66 3.3 12.3 1.0 C5 J:5LD202 3.4 18.8 1.0 OE2 C:GLU70 3.6 15.2 1.0 OD2 J:ASP101 4.2 19.1 1.0 ND1 J:HIS163 4.3 11.9 1.0 ND1 C:HIS66 4.3 15.2 1.0 N2 J:5LD202 4.3 18.4 1.0 ND1 C:HIS138 4.4 11.7 1.0 CG C:GLU70 4.4 13.9 1.0 CG J:HIS163 4.4 11.4 1.0 CG C:HIS66 4.4 14.1 1.0 CG C:HIS138 4.4 16.5 1.0 N1 J:5LD202 4.5 12.9 1.0 CD2 J:LEU100 4.6 12.7 1.0 CB C:GLU70 4.6 13.4 1.0 CG J:ASP101 5.0 17.7 1.0

Manganese binding site 8 out of 24 in the Acanthamoeba Igpd in Complex with R-C348 to 1.7A Resolution


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of Acanthamoeba Igpd in Complex with R-C348 to 1.7A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn201 b:12.9 occ:1.00 OE1 D:GLU166 2.2 12.2 1.0 O13 D:5LD202 2.3 14.0 1.0 NE2 D:HIS40 2.3 14.7 1.0 N1 D:5LD202 2.3 11.7 1.0 NE2 L:HIS67 2.3 17.0 1.0 NE2 D:HIS162 2.3 14.7 1.0 CD D:GLU166 3.1 20.1 1.0 CE1 L:HIS67 3.2 22.3 1.0 CD2 D:HIS40 3.2 15.4 1.0 C5 D:5LD202 3.2 10.5 1.0 CE1 D:HIS40 3.2 28.8 1.0 CE1 D:HIS162 3.3 14.3 1.0 C7 D:5LD202 3.3 11.0 1.0 CD2 D:HIS162 3.3 11.9 1.0 CD2 L:HIS67 3.4 18.3 1.0 N2 D:5LD202 3.4 16.6 1.0 OE2 D:GLU166 3.5 18.4 1.0 C6 D:5LD202 3.7 15.3 1.0 OE2 L:GLU14 4.3 18.8 1.0 ND1 D:HIS40 4.4 14.2 1.0 ND1 L:HIS67 4.4 15.3 1.0 CG D:HIS40 4.4 12.6 1.0 ND1 D:HIS162 4.4 12.7 1.0 N4 D:5LD202 4.4 12.9 1.0 CG D:GLU166 4.5 13.9 1.0 CG L:HIS67 4.5 18.2 1.0 CG D:HIS162 4.5 12.9 1.0 C3 D:5LD202 4.5 17.3 1.0 C8 D:5LD202 4.6 14.9 1.0 CB D:GLU166 4.9 14.8 1.0

Manganese binding site 9 out of 24 in the Acanthamoeba Igpd in Complex with R-C348 to 1.7A Resolution


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 9 of Acanthamoeba Igpd in Complex with R-C348 to 1.7A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ E:Mn201 b:13.5 occ:1.00 OE1 E:GLU166 2.1 14.0 1.0 O13 E:5LD202 2.2 14.4 1.0 N1 E:5LD202 2.2 10.1 1.0 NE2 E:HIS40 2.3 15.3 1.0 NE2 E:HIS162 2.3 11.1 1.0 NE2 K:HIS67 2.3 13.6 1.0 CD E:GLU166 3.1 16.8 1.0 C5 E:5LD202 3.2 11.0 1.0 CE1 K:HIS67 3.2 15.7 1.0 CE1 E:HIS40 3.2 17.9 1.0 CE1 E:HIS162 3.2 9.4 1.0 CD2 E:HIS40 3.2 14.3 1.0 C7 E:5LD202 3.3 16.5 1.0 CD2 E:HIS162 3.3 9.8 1.0 N2 E:5LD202 3.4 14.3 1.0 OE2 E:GLU166 3.4 20.2 1.0 CD2 K:HIS67 3.4 13.4 1.0 C6 E:5LD202 3.7 14.3 1.0 ND1 E:HIS40 4.3 12.6 1.0 ND1 K:HIS67 4.4 13.3 1.0 ND1 E:HIS162 4.4 12.1 1.0 OE2 K:GLU14 4.4 19.1 1.0 CG E:HIS40 4.4 12.9 1.0 N4 E:5LD202 4.4 12.9 1.0 CG E:GLU166 4.4 16.6 1.0 CG E:HIS162 4.4 12.3 1.0 C3 E:5LD202 4.5 16.1 1.0 CG K:HIS67 4.5 14.5 1.0 C8 E:5LD202 4.6 15.9 1.0 CB E:GLU166 4.9 13.8 1.0

Manganese binding site 10 out of 24 in the Acanthamoeba Igpd in Complex with R-C348 to 1.7A Resolution


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 10 of Acanthamoeba Igpd in Complex with R-C348 to 1.7A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ F:Mn201 b:12.1 occ:1.00 NE2 F:HIS66 2.2 9.4 1.0 OE1 F:GLU70 2.2 11.8 1.0 O F:HOH317 2.3 10.7 1.0 N4 A:5LD203 2.3 11.2 1.0 NE2 A:HIS163 2.3 13.1 1.0 NE2 F:HIS138 2.3 10.1 1.0 CE1 F:HIS66 3.1 12.2 1.0 C3 A:5LD203 3.2 16.1 1.0 CD F:GLU70 3.2 21.3 1.0 CD2 F:HIS138 3.2 12.9 1.0 CE1 A:HIS163 3.2 13.1 1.0 CD2 F:HIS66 3.2 10.4 1.0 C5 A:5LD203 3.3 17.3 1.0 CD2 A:HIS163 3.3 14.0 1.0 CE1 F:HIS138 3.3 14.0 1.0 OE2 F:GLU70 3.6 14.4 1.0 OD2 A:ASP101 4.2 15.0 1.0 ND1 F:HIS66 4.3 11.1 1.0 N2 A:5LD203 4.3 14.2 1.0 CG F:HIS66 4.4 15.9 1.0 ND1 A:HIS163 4.4 12.7 1.0 CG F:HIS138 4.4 13.6 1.0 ND1 F:HIS138 4.4 9.8 1.0 CG F:GLU70 4.4 18.8 1.0 N1 A:5LD203 4.4 12.4 1.0 CG A:HIS163 4.4 9.5 1.0 CD2 A:LEU100 4.4 13.9 1.0 CB F:GLU70 4.6 16.3 1.0

C.A.Rice, S.J.Campbell, C.Bisson, H.J.Owen, S.E.Sedelnikova, P.J.Baker, D.W.Rice, F.L.Henriquez, C.W.Roberts. Structural and Functional Studies of Histidine Biosynthesis in Acanthamoeba Spp. Demonstrates A Novel Molecular Arrangement and Target For Antimicrobials. Plos One V. 13 98827 2018.
ISSN: ESSN 1932-6203
PubMed: 29969448
DOI: 10.1371/JOURNAL.PONE.0198827