Atomistry » Magnesium » PDB 2mtk-2o52 » 2o1o
Atomistry »
  Magnesium »
    PDB 2mtk-2o52 »
      2o1o »

Magnesium in PDB 2o1o: Cryptosporidium Parvum Putative Polyprenyl Pyrophosphate Synthase (CGD4_2550) in Complex with Risedronate.

Protein crystallography data

The structure of Cryptosporidium Parvum Putative Polyprenyl Pyrophosphate Synthase (CGD4_2550) in Complex with Risedronate., PDB code: 2o1o was solved by M.Chruszcz, J.D.Artz, A.Dong, J.Dunford, J.Lew, Y.Zhao, I.Kozieradski, K.L.Kavanaugh, U.Oppermann, M.Sundstrom, J.Weigelt, A.M.Edwards, C.H.Arrowsmith, A.Bochkarev, R.Hui, W.Minor, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.42
Space group P 31
Cell size a, b, c (Å), α, β, γ (°) 101.758, 101.758, 75.313, 90.00, 90.00, 120.00
R / Rfree (%) n/a / 21.3

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Cryptosporidium Parvum Putative Polyprenyl Pyrophosphate Synthase (CGD4_2550) in Complex with Risedronate. (pdb code 2o1o). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Cryptosporidium Parvum Putative Polyprenyl Pyrophosphate Synthase (CGD4_2550) in Complex with Risedronate., PDB code: 2o1o:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in 2o1o

Go back to Magnesium Binding Sites List in 2o1o
Magnesium binding site 1 out of 6 in the Cryptosporidium Parvum Putative Polyprenyl Pyrophosphate Synthase (CGD4_2550) in Complex with Risedronate.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Cryptosporidium Parvum Putative Polyprenyl Pyrophosphate Synthase (CGD4_2550) in Complex with Risedronate. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg501

b:65.3
occ:1.00
O A:HOH514 1.8 33.4 1.0
O A:HOH513 2.0 32.0 1.0
O11 A:RIS400 2.0 47.2 1.0
OD1 A:ASN254 2.2 42.9 1.0
O16 A:RIS400 2.4 62.9 1.0
O A:HOH511 2.4 32.8 1.0
CG A:ASN254 3.1 41.7 1.0
ND2 A:ASN254 3.4 34.0 1.0
P9 A:RIS400 3.4 45.1 1.0
P14 A:RIS400 3.6 43.1 1.0
OD2 A:ASP258 3.8 90.7 1.0
C8 A:RIS400 3.8 43.7 1.0
OD2 A:ASP268 4.0 70.5 1.0
O A:ASN254 4.0 42.0 1.0
O13 A:RIS400 4.0 37.4 1.0
O12 A:RIS400 4.1 39.5 1.0
O A:HOH512 4.2 31.4 1.0
OD1 A:ASP255 4.2 44.5 1.0
O15 A:RIS400 4.3 40.3 1.0
C A:ASN254 4.4 39.9 1.0
CB A:ASN254 4.4 38.9 1.0
O10 A:RIS400 4.4 43.9 1.0
NE2 A:GLN251 4.5 53.0 1.0
CB A:ASP258 4.6 55.5 1.0
CG A:ASP258 4.6 64.5 1.0
MG A:MG503 4.7 56.9 1.0
O17 A:RIS400 4.7 42.9 1.0
N A:ASP255 4.9 38.4 1.0
CA A:ASN254 5.0 40.7 1.0
CA A:ASP255 5.0 47.8 1.0

Magnesium binding site 2 out of 6 in 2o1o

Go back to Magnesium Binding Sites List in 2o1o
Magnesium binding site 2 out of 6 in the Cryptosporidium Parvum Putative Polyprenyl Pyrophosphate Synthase (CGD4_2550) in Complex with Risedronate.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Cryptosporidium Parvum Putative Polyprenyl Pyrophosphate Synthase (CGD4_2550) in Complex with Risedronate. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg502

b:58.0
occ:1.00
OD2 A:ASP119 2.0 54.7 1.0
OD1 A:ASP115 2.1 59.7 1.0
O15 A:RIS400 2.7 40.3 1.0
CG A:ASP119 3.0 46.4 1.0
OD1 A:ASP119 3.2 65.4 1.0
CG A:ASP115 3.3 53.5 1.0
OD1 A:ASP187 3.5 71.4 1.0
MG A:MG503 3.5 56.9 1.0
NE2 A:GLN184 3.6 33.9 1.0
OD2 A:ASP115 3.8 55.5 1.0
P14 A:RIS400 3.8 43.1 1.0
OE1 A:GLN184 3.9 54.1 1.0
CG A:ASP187 4.0 49.8 1.0
O17 A:RIS400 4.1 42.9 1.0
CD A:GLN184 4.2 47.0 1.0
OD2 A:ASP187 4.3 35.7 1.0
CB A:ASP119 4.4 33.1 1.0
O A:ASP115 4.4 33.5 1.0
CB A:ASP115 4.4 39.7 1.0
NZ A:LYS273 4.5 33.4 1.0
C1 A:RIS400 4.5 41.1 1.0
O16 A:RIS400 4.7 62.9 1.0
CA A:ASP115 4.8 32.0 1.0
NZ A:LYS210 5.0 28.3 1.0
O A:HOH510 5.0 30.2 1.0
O A:HOH512 5.0 31.4 1.0
C A:ASP115 5.0 27.9 1.0
C2 A:RIS400 5.0 45.9 1.0

Magnesium binding site 3 out of 6 in 2o1o

Go back to Magnesium Binding Sites List in 2o1o
Magnesium binding site 3 out of 6 in the Cryptosporidium Parvum Putative Polyprenyl Pyrophosphate Synthase (CGD4_2550) in Complex with Risedronate.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Cryptosporidium Parvum Putative Polyprenyl Pyrophosphate Synthase (CGD4_2550) in Complex with Risedronate. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg503

b:56.9
occ:1.00
O15 A:RIS400 2.0 40.3 1.0
O12 A:RIS400 2.0 39.5 1.0
O A:HOH510 2.2 30.2 1.0
O A:HOH512 2.2 31.4 1.0
OD2 A:ASP115 2.3 55.5 1.0
OD2 A:ASP119 2.6 54.7 1.0
CG A:ASP115 3.1 53.5 1.0
P14 A:RIS400 3.1 43.1 1.0
OD1 A:ASP115 3.2 59.7 1.0
P9 A:RIS400 3.2 45.1 1.0
MG A:MG502 3.5 58.0 1.0
C8 A:RIS400 3.5 43.7 1.0
CG A:ASP119 3.6 46.4 1.0
O16 A:RIS400 3.7 62.9 1.0
O A:HOH513 3.8 32.0 1.0
CB A:ASP119 3.8 33.1 1.0
C7 A:RIS400 3.8 44.9 1.0
O11 A:RIS400 3.9 47.2 1.0
NH1 A:ARG124 4.1 42.5 1.0
O A:ASP115 4.2 33.5 1.0
O17 A:RIS400 4.4 42.9 1.0
O10 A:RIS400 4.5 43.9 1.0
CB A:ASP115 4.5 39.7 1.0
MG A:MG501 4.7 65.3 1.0
C A:ASP115 4.7 27.9 1.0
OD1 A:ASP119 4.7 65.4 1.0
OD1 A:ASP116 4.8 51.4 1.0
C2 A:RIS400 4.8 45.9 1.0
NH2 A:ARG271 4.8 88.9 1.0
O13 A:RIS400 4.9 37.4 1.0
C1 A:RIS400 5.0 41.1 1.0

Magnesium binding site 4 out of 6 in 2o1o

Go back to Magnesium Binding Sites List in 2o1o
Magnesium binding site 4 out of 6 in the Cryptosporidium Parvum Putative Polyprenyl Pyrophosphate Synthase (CGD4_2550) in Complex with Risedronate.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Cryptosporidium Parvum Putative Polyprenyl Pyrophosphate Synthase (CGD4_2550) in Complex with Risedronate. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg501

b:60.5
occ:1.00
O11 B:RIS400 1.9 56.6 1.0
OD1 B:ASN254 2.1 46.3 1.0
O16 B:RIS400 2.6 35.3 1.0
CG B:ASN254 3.3 44.9 1.0
P9 B:RIS400 3.4 50.0 1.0
O B:HOH519 3.6 33.2 1.0
O B:ASN254 3.7 51.5 1.0
O13 B:RIS400 3.7 54.5 1.0
P14 B:RIS400 3.8 33.9 1.0
C8 B:RIS400 3.8 41.5 1.0
ND2 B:ASN254 4.1 60.3 1.0
C B:ASN254 4.2 33.9 1.0
O10 B:RIS400 4.2 41.5 1.0
O12 B:RIS400 4.2 55.5 1.0
OD1 B:ASP255 4.3 48.0 1.0
OD1 B:ASP268 4.4 55.4 1.0
CB B:ASN254 4.4 38.3 1.0
OD2 B:ASP268 4.5 53.1 1.0
CB B:ASP258 4.5 48.5 1.0
NE2 B:GLN251 4.6 31.3 1.0
O15 B:RIS400 4.7 44.1 1.0
NZ B:LYS273 4.7 37.6 1.0
N B:ASP255 4.7 35.0 1.0
O17 B:RIS400 4.8 37.3 1.0
CA B:ASN254 4.8 32.5 1.0
CA B:ASP255 4.8 33.6 1.0
MG B:MG502 4.9 44.1 1.0
CG B:ASP268 4.9 36.2 1.0
OD1 B:ASP258 4.9 58.6 1.0
CG B:ASP258 4.9 47.7 1.0

Magnesium binding site 5 out of 6 in 2o1o

Go back to Magnesium Binding Sites List in 2o1o
Magnesium binding site 5 out of 6 in the Cryptosporidium Parvum Putative Polyprenyl Pyrophosphate Synthase (CGD4_2550) in Complex with Risedronate.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Cryptosporidium Parvum Putative Polyprenyl Pyrophosphate Synthase (CGD4_2550) in Complex with Risedronate. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg502

b:44.1
occ:1.00
O12 B:RIS400 2.0 55.5 1.0
O B:HOH519 2.0 33.2 1.0
O B:HOH518 2.1 33.8 1.0
O15 B:RIS400 2.6 44.1 1.0
OD2 B:ASP115 2.6 50.0 1.0
OD2 B:ASP119 2.8 55.1 1.0
P9 B:RIS400 3.2 50.0 1.0
CG B:ASP115 3.6 43.1 1.0
P14 B:RIS400 3.6 33.9 1.0
CG B:ASP119 3.6 41.4 1.0
CB B:ASP119 3.6 29.1 1.0
O B:HOH517 3.6 36.5 1.0
O11 B:RIS400 3.8 56.6 1.0
O16 B:RIS400 3.8 35.3 1.0
OD1 B:ASP115 3.9 42.8 1.0
C8 B:RIS400 3.9 41.5 1.0
NH1 B:ARG124 4.0 44.0 1.0
MG B:MG503 4.1 48.4 1.0
C7 B:RIS400 4.4 43.4 1.0
O10 B:RIS400 4.5 41.5 1.0
OD1 B:ASP116 4.5 31.7 1.0
O B:ASP115 4.6 53.6 1.0
NZ B:LYS273 4.8 37.6 1.0
OD1 B:ASP119 4.8 56.8 1.0
CB B:ASP115 4.8 45.3 1.0
MG B:MG501 4.9 60.5 1.0
C B:ASP115 4.9 38.0 1.0
O17 B:RIS400 4.9 37.3 1.0

Magnesium binding site 6 out of 6 in 2o1o

Go back to Magnesium Binding Sites List in 2o1o
Magnesium binding site 6 out of 6 in the Cryptosporidium Parvum Putative Polyprenyl Pyrophosphate Synthase (CGD4_2550) in Complex with Risedronate.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Cryptosporidium Parvum Putative Polyprenyl Pyrophosphate Synthase (CGD4_2550) in Complex with Risedronate. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg503

b:48.4
occ:1.00
O B:HOH520 1.9 27.4 1.0
OD2 B:ASP119 2.4 55.1 1.0
O15 B:RIS400 2.5 44.1 1.0
OD2 B:ASP187 2.6 42.6 1.0
NZ B:LYS273 3.1 37.6 1.0
OD1 B:ASP115 3.2 42.8 1.0
P14 B:RIS400 3.2 33.9 1.0
CG B:ASP119 3.4 41.4 1.0
CG B:ASP187 3.5 35.9 1.0
O17 B:RIS400 3.5 37.3 1.0
OD1 B:ASP119 3.6 56.8 1.0
O16 B:RIS400 3.7 35.3 1.0
OD1 B:ASP187 3.8 38.2 1.0
CE B:LYS273 4.1 60.9 1.0
MG B:MG502 4.1 44.1 1.0
CG B:ASP115 4.1 43.1 1.0
OE1 B:GLN184 4.2 51.3 1.0
OD2 B:ASP115 4.3 50.0 1.0
CD B:LYS273 4.4 56.7 1.0
NZ B:LYS210 4.5 43.1 1.0
CB B:ASP187 4.7 33.5 1.0
CB B:ASP119 4.8 29.1 1.0
O B:HOH519 4.9 33.2 1.0
C8 B:RIS400 4.9 41.5 1.0

Reference:

J.D.Artz, J.E.Dunford, M.J.Arrowood, A.Dong, M.Chruszcz, K.L.Kavanagh, W.Minor, R.G.Russell, F.H.Ebetino, U.Oppermann, R.Hui. Targeting A Uniquely Nonspecific Prenyl Synthase with Bisphosphonates to Combat Cryptosporidiosis Chem.Biol. V. 15 1296 2008.
ISSN: ISSN 1074-5521
PubMed: 19101474
DOI: 10.1016/J.CHEMBIOL.2008.10.017
Page generated: Mon Dec 14 07:31:25 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy