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Manganese in PDB 5dnl: Crystal Structure of Igpd From Pyrococcus Furiosus in Complex with (S)-C348

Enzymatic activity of Crystal Structure of Igpd From Pyrococcus Furiosus in Complex with (S)-C348

All present enzymatic activity of Crystal Structure of Igpd From Pyrococcus Furiosus in Complex with (S)-C348:
4.2.1.19;

Protein crystallography data

The structure of Crystal Structure of Igpd From Pyrococcus Furiosus in Complex with (S)-C348, PDB code: 5dnl was solved by C.Bisson, K.L.Britton, S.E.Sedelnikova, H.F.Rodgers, T.C.Eadsforth, R.C.Viner, T.R.Hawkes, P.J.Baker, D.W.Rice, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.25 / 1.53
Space group I 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 141.270, 141.270, 137.410, 90.00, 90.00, 90.00
R / Rfree (%) 13.5 / 14.9

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of Igpd From Pyrococcus Furiosus in Complex with (S)-C348 (pdb code 5dnl). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 6 binding sites of Manganese where determined in the Crystal Structure of Igpd From Pyrococcus Furiosus in Complex with (S)-C348, PDB code: 5dnl:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6;

Manganese binding site 1 out of 6 in 5dnl

Go back to Manganese Binding Sites List in 5dnl
Manganese binding site 1 out of 6 in the Crystal Structure of Igpd From Pyrococcus Furiosus in Complex with (S)-C348


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 Igpd From Pyrococcus Furiosus in Complex with (S)-C348 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn201

b:11.8
occ:1.00
 OE1 A:GLU121 2.2 14.5 1.0
OE1 A:GLU56 2.2 13.1 1.0
O A:HOH314 2.2 13.6 1.0
NE2 A:HIS52 2.3 12.9 1.0
N4 A:5DL203 2.3 13.7 1.0
CD A:GLU56 3.2 14.9 1.0
CE1 A:HIS52 3.2 12.5 1.0
CD A:GLU121 3.2 14.9 1.0
CD2 A:HIS52 3.3 11.3 1.0
C5 A:5DL203 3.3 12.1 1.0
C3 A:5DL203 3.3 12.9 1.0
OE2 A:GLU56 3.6 14.0 1.0
CG A:GLU121 3.9 13.9 1.0
OE2 A:GLU121 4.2 17.2 1.0
ND1 A:HIS52 4.3 12.5 1.0
N2 A:5DL203 4.4 13.1 1.0
CG A:HIS52 4.4 11.7 1.0
CG A:GLU56 4.4 14.6 1.0
O A:HOH360 4.4 17.4 1.0
N1 A:5DL203 4.4 12.0 1.0
CB A:GLU121 4.6 13.3 1.0
CB A:GLU56 4.6 12.2 1.0
O A:HOH398 4.6 18.9 1.0

Manganese binding site 2 out of 6 in 5dnl

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Manganese binding site 2 out of 6 in the Crystal Structure of Igpd From Pyrococcus Furiosus in Complex with (S)-C348


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 Igpd From Pyrococcus Furiosus in Complex with (S)-C348 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn202

b:12.2
occ:1.00
 N1 A:5DL203 2.2 12.0 1.0
O13 A:5DL203 2.3 14.2 1.0
NE2 A:HIS53 2.4 12.7 1.0
N2 A:5DL203 3.2 13.1 1.0
CE1 A:HIS53 3.2 13.5 1.0
C5 A:5DL203 3.3 12.1 1.0
CD2 A:HIS53 3.4 11.7 1.0
C7 A:5DL203 3.4 12.1 1.0
C6 A:5DL203 3.5 12.5 1.0
OE2 A:GLU7 4.2 16.7 1.0
C3 A:5DL203 4.4 12.9 1.0
ND1 A:HIS53 4.4 13.3 1.0
N4 A:5DL203 4.4 13.7 1.0
CG A:HIS53 4.5 13.0 1.0
C8 A:5DL203 4.5 13.2 1.0
CD A:GLU7 4.9 15.9 1.0
O A:HOH331 5.0 21.4 1.0

Manganese binding site 3 out of 6 in 5dnl

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Manganese binding site 3 out of 6 in the Crystal Structure of Igpd From Pyrococcus Furiosus in Complex with (S)-C348


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 Igpd From Pyrococcus Furiosus in Complex with (S)-C348 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn201

b:12.0
occ:1.00
 OE1 C:GLU121 2.1 14.6 1.0
OE1 C:GLU56 2.2 13.1 1.0
O B:HOH305 2.2 13.7 1.0
NE2 C:HIS52 2.3 13.5 1.0
NE2 B:HIS146 2.3 10.9 1.0
N4 C:5DL203 2.3 12.1 1.0
CD C:GLU121 3.2 15.1 1.0
CD C:GLU56 3.2 15.2 1.0
CE1 B:HIS146 3.2 11.3 1.0
CE1 C:HIS52 3.2 11.4 1.0
C5 C:5DL203 3.3 10.7 1.0
CD2 C:HIS52 3.3 12.6 1.0
C3 C:5DL203 3.3 12.6 1.0
CD2 B:HIS146 3.3 10.9 1.0
OE2 C:GLU56 3.6 14.2 1.0
CG C:GLU121 3.9 13.4 1.0
OD2 B:ASP85 4.0 17.5 1.0
OE2 C:GLU121 4.1 16.9 1.0
ND1 C:HIS52 4.3 11.7 1.0
ND1 B:HIS146 4.4 11.2 1.0
N2 C:5DL203 4.4 12.1 1.0
O C:HOH386 4.4 15.8 1.0
CG C:GLU56 4.4 13.4 1.0
CG C:HIS52 4.4 11.6 1.0
CG B:HIS146 4.5 10.6 1.0
N1 C:5DL203 4.5 13.4 1.0
CB C:GLU121 4.6 12.6 1.0
O C:HOH411 4.6 18.3 1.0
CB C:GLU56 4.6 12.6 1.0
O B:HOH308 4.7 17.9 1.0
CG B:ASP85 5.0 17.4 1.0

Manganese binding site 4 out of 6 in 5dnl

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Manganese binding site 4 out of 6 in the Crystal Structure of Igpd From Pyrococcus Furiosus in Complex with (S)-C348


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of Igpd From Pyrococcus Furiosus in Complex with (S)-C348 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn202

b:12.2
occ:1.00
 OE1 B:GLU149 2.1 12.9 1.0
N1 C:5DL203 2.2 13.4 1.0
NE2 B:HIS29 2.2 12.8 1.0
O13 C:5DL203 2.3 16.0 1.0
NE2 B:HIS145 2.3 11.2 1.0
NE2 C:HIS53 2.3 12.9 1.0
CD B:GLU149 3.1 14.8 1.0
N2 C:5DL203 3.2 12.1 1.0
CD2 B:HIS29 3.2 13.3 1.0
CE1 B:HIS29 3.2 13.4 1.0
CE1 C:HIS53 3.2 13.6 1.0
CE1 B:HIS145 3.3 10.8 1.0
C5 C:5DL203 3.3 10.7 1.0
CD2 B:HIS145 3.3 11.3 1.0
CD2 C:HIS53 3.4 14.0 1.0
C7 C:5DL203 3.4 13.1 1.0
OE2 B:GLU149 3.4 14.2 1.0
C6 C:5DL203 3.4 11.9 1.0
OE2 C:GLU7 4.2 16.4 1.0
ND1 B:HIS29 4.3 13.5 1.0
CG B:HIS29 4.4 12.6 1.0
ND1 B:HIS145 4.4 12.2 1.0
ND1 C:HIS53 4.4 12.9 1.0
C3 C:5DL203 4.4 12.6 1.0
N4 C:5DL203 4.4 12.1 1.0
CG B:GLU149 4.4 11.5 1.0
CG B:HIS145 4.4 12.6 1.0
CG C:HIS53 4.5 11.6 1.0
C8 C:5DL203 4.5 12.6 1.0
CB B:GLU149 4.8 11.4 1.0
CD C:GLU7 4.9 15.3 1.0
CE B:MET30 5.0 13.7 1.0

Manganese binding site 5 out of 6 in 5dnl

Go back to Manganese Binding Sites List in 5dnl
Manganese binding site 5 out of 6 in the Crystal Structure of Igpd From Pyrococcus Furiosus in Complex with (S)-C348


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Crystal Structure of Igpd From Pyrococcus Furiosus in Complex with (S)-C348 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn201

b:11.8
occ:1.00
 N1 B:5DL203 2.2 11.0 1.0
O13 B:5DL203 2.3 15.2 1.0
N2 B:5DL203 3.2 12.9 1.0
C5 B:5DL203 3.3 10.8 1.0
C7 B:5DL203 3.4 12.5 1.0
C6 B:5DL203 3.5 12.6 1.0
C3 B:5DL203 4.4 13.1 1.0
N4 B:5DL203 4.4 11.6 1.0
C8 B:5DL203 4.5 13.0 1.0

Manganese binding site 6 out of 6 in 5dnl

Go back to Manganese Binding Sites List in 5dnl
Manganese binding site 6 out of 6 in the Crystal Structure of Igpd From Pyrococcus Furiosus in Complex with (S)-C348


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of Crystal Structure of Igpd From Pyrococcus Furiosus in Complex with (S)-C348 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn202

b:11.5
occ:1.00
 N4 B:5DL203 2.3 11.6 1.0
C5 B:5DL203 3.3 10.8 1.0
C3 B:5DL203 3.3 13.1 1.0
N2 B:5DL203 4.4 12.9 1.0
N1 B:5DL203 4.5 11.0 1.0

Reference:

C.Bisson, K.L.Britton, S.E.Sedelnikova, H.F.Rodgers, T.C.Eadsforth, R.C.Viner, T.R.Hawkes, P.J.Baker, D.W.Rice. Mirror-Image Packing Provides A Molecular Basis For the Nanomolar Equipotency of Enantiomers of An Experimental Herbicide. Angew.Chem.Int.Ed.Engl. V. 55 13485 2016.
ISSN: ESSN 1521-3773
PubMed: 27717128
DOI: 10.1002/ANIE.201607185
Page generated: Sat Oct 5 23:56:18 2024

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