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Zinc in PDB 6rru: Golgi Alpha-Mannosidase II in Complex with (5R,6R,7S,8S)-5,6,7,8- Tetrahydro-5-(Hydroxymethyl)-3-(3-Phenylpropyl)Imidazo[1,2- A]Pyridine-6,7,8-Triol

Enzymatic activity of Golgi Alpha-Mannosidase II in Complex with (5R,6R,7S,8S)-5,6,7,8- Tetrahydro-5-(Hydroxymethyl)-3-(3-Phenylpropyl)Imidazo[1,2- A]Pyridine-6,7,8-Triol

All present enzymatic activity of Golgi Alpha-Mannosidase II in Complex with (5R,6R,7S,8S)-5,6,7,8- Tetrahydro-5-(Hydroxymethyl)-3-(3-Phenylpropyl)Imidazo[1,2- A]Pyridine-6,7,8-Triol:
3.2.1.114;

Protein crystallography data

The structure of Golgi Alpha-Mannosidase II in Complex with (5R,6R,7S,8S)-5,6,7,8- Tetrahydro-5-(Hydroxymethyl)-3-(3-Phenylpropyl)Imidazo[1,2- A]Pyridine-6,7,8-Triol, PDB code: 6rru was solved by Z.Armstrong, D.Lahav, R.Johnson, C.L.Kuo, T.J.M.Beenakker, C.De Boer, C.S.Wong, E.R.Van Rijssel, M.Debets, P.P.Geurink, H.Ovaa, M.Van Derstelt, J.D.C.Codee, J.M.F.G.Aerts, L.Wu, H.S.Overkleeft, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 75.51 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 88.959, 91.908, 131.835, 90.00, 90.00, 90.00
R / Rfree (%) 19.2 / 24.2

Zinc Binding Sites:

The binding sites of Zinc atom in the Golgi Alpha-Mannosidase II in Complex with (5R,6R,7S,8S)-5,6,7,8- Tetrahydro-5-(Hydroxymethyl)-3-(3-Phenylpropyl)Imidazo[1,2- A]Pyridine-6,7,8-Triol (pdb code 6rru). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Golgi Alpha-Mannosidase II in Complex with (5R,6R,7S,8S)-5,6,7,8- Tetrahydro-5-(Hydroxymethyl)-3-(3-Phenylpropyl)Imidazo[1,2- A]Pyridine-6,7,8-Triol, PDB code: 6rru:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 6rru

Go back to Zinc Binding Sites List in 6rru
Zinc binding site 1 out of 2 in the Golgi Alpha-Mannosidase II in Complex with (5R,6R,7S,8S)-5,6,7,8- Tetrahydro-5-(Hydroxymethyl)-3-(3-Phenylpropyl)Imidazo[1,2- A]Pyridine-6,7,8-Triol


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Golgi Alpha-Mannosidase II in Complex with (5R,6R,7S,8S)-5,6,7,8- Tetrahydro-5-(Hydroxymethyl)-3-(3-Phenylpropyl)Imidazo[1,2- A]Pyridine-6,7,8-Triol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1102

b:19.0
occ:1.00
OD2 A:ASP204 1.9 19.8 1.0
OD1 A:ASP92 2.0 19.9 1.0
NE2 A:HIS471 2.1 17.2 1.0
NE2 A:HIS90 2.1 19.0 1.0
O1 A:KG81101 2.3 21.7 1.0
O2 A:KG81101 2.6 21.0 1.0
C2 A:KG81101 2.9 23.0 1.0
CD2 A:HIS471 3.0 16.9 1.0
CG A:ASP204 3.0 19.8 1.0
CG A:ASP92 3.1 21.2 1.0
CD2 A:HIS90 3.1 20.2 1.0
C1 A:KG81101 3.1 21.9 1.0
CE1 A:HIS90 3.2 19.8 1.0
CE1 A:HIS471 3.2 16.5 1.0
OD2 A:ASP92 3.4 20.7 1.0
CB A:ASP204 3.5 19.6 1.0
OD2 A:ASP472 4.0 19.7 1.0
OD1 A:ASP204 4.1 19.0 1.0
CG A:HIS471 4.2 16.9 1.0
ND1 A:HIS471 4.2 16.0 1.0
C3 A:KG81101 4.2 23.0 1.0
ND1 A:HIS90 4.3 17.2 1.0
CG A:HIS90 4.3 19.6 1.0
C6 A:KG81101 4.4 26.3 1.0
CB A:ASP92 4.4 20.8 1.0
CE1 A:HIS470 4.5 17.3 1.0
O A:HOH1238 4.7 18.7 1.0
OH A:TYR269 4.9 20.0 1.0
CA A:ASP92 4.9 20.6 1.0

Zinc binding site 2 out of 2 in 6rru

Go back to Zinc Binding Sites List in 6rru
Zinc binding site 2 out of 2 in the Golgi Alpha-Mannosidase II in Complex with (5R,6R,7S,8S)-5,6,7,8- Tetrahydro-5-(Hydroxymethyl)-3-(3-Phenylpropyl)Imidazo[1,2- A]Pyridine-6,7,8-Triol


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Golgi Alpha-Mannosidase II in Complex with (5R,6R,7S,8S)-5,6,7,8- Tetrahydro-5-(Hydroxymethyl)-3-(3-Phenylpropyl)Imidazo[1,2- A]Pyridine-6,7,8-Triol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1103

b:37.1
occ:1.00
ND1 A:HIS1022 2.2 32.5 1.0
OE1 A:GLU1010 2.2 36.0 1.0
CD A:GLU1010 2.9 35.6 1.0
CE1 A:HIS1022 3.0 35.0 1.0
OE2 A:GLU1010 3.0 33.0 1.0
CG A:HIS1022 3.2 35.1 1.0
NH1 A:ARG1008 3.6 49.3 1.0
CB A:HIS1022 3.6 37.2 1.0
CA A:HIS1022 4.2 34.8 1.0
NE2 A:HIS1022 4.2 35.2 1.0
CD2 A:HIS1022 4.3 32.6 1.0
CG A:GLU1010 4.4 30.1 1.0
CD A:ARG1008 4.4 49.3 1.0
CZ A:ARG1008 4.7 49.1 1.0
N A:HIS1022 4.9 35.9 1.0
CG A:ARG1008 5.0 45.5 1.0
NE A:ARG1008 5.0 50.0 1.0

Reference:

Z.Armstrong, D.Lahav, R.Johnson, C.L.Kuo, T.J.M.Beenakker, C.De Boer, C.S.Wong, E.R.Van Rijssel, M.Debets, P.P.Geurink, H.Ovaa, M.Van Der Stelt, J.D.C.Codee, J.M.F.G.Aerts, L.Wu, H.S.Overkleeft, G.J.Davies. Manno-Configured Epi-Cyclophellitol Aziridine Based Fluorescence Polarization Activity-Based Protein Profiling Identifies New Golgi A-Mannosidase Inhibitors To Be Published.
Page generated: Tue Oct 29 06:44:53 2024

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