Atomistry » Magnesium » PDB 2qrn-2r1y » 2qs8
Atomistry »
  Magnesium »
    PDB 2qrn-2r1y »
      2qs8 »

Magnesium in PDB 2qs8: Crystal Structure of A Xaa-Pro Dipeptidase with Bound Methionine in the Active Site

Protein crystallography data

The structure of Crystal Structure of A Xaa-Pro Dipeptidase with Bound Methionine in the Active Site, PDB code: 2qs8 was solved by D.Kumaran, S.K.Burley, S.Swaminathan, New York Sgx Research Center Forstructural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.81 / 2.33
Space group I 4
Cell size a, b, c (Å), α, β, γ (°) 144.846, 144.846, 101.029, 90.00, 90.00, 90.00
R / Rfree (%) 20.7 / 23.4

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of A Xaa-Pro Dipeptidase with Bound Methionine in the Active Site (pdb code 2qs8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of A Xaa-Pro Dipeptidase with Bound Methionine in the Active Site, PDB code: 2qs8:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 2qs8

Go back to Magnesium Binding Sites List in 2qs8
Magnesium binding site 1 out of 2 in the Crystal Structure of A Xaa-Pro Dipeptidase with Bound Methionine in the Active Site


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of A Xaa-Pro Dipeptidase with Bound Methionine in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg500

b:29.6
occ:1.00
NE2 A:HIS71 2.2 25.7 1.0
NE2 A:HIS69 2.4 26.1 1.0
OD1 A:ASP328 2.6 23.8 1.0
O A:HOH677 3.0 34.0 1.0
O A:HOH751 3.0 33.9 1.0
CE1 A:HIS71 3.1 25.7 1.0
CD2 A:HIS71 3.2 22.3 1.0
CG A:ASP328 3.3 25.4 1.0
CD2 A:HIS69 3.4 25.7 1.0
CE1 A:HIS69 3.4 24.8 1.0
OD2 A:ASP328 3.5 25.0 1.0
N A:MET600 3.9 39.6 1.0
ND1 A:HIS71 4.2 23.6 1.0
NZ A:LYS194 4.3 27.2 1.0
CG A:HIS71 4.3 23.0 1.0
NE2 A:HIS255 4.4 23.1 1.0
ND1 A:HIS69 4.5 26.4 1.0
CG A:HIS69 4.5 26.0 1.0
CE1 A:HIS255 4.6 22.5 1.0
CB A:ASP328 4.6 24.0 1.0
O A:HOH621 4.7 30.8 1.0
CA A:MET600 4.9 38.1 1.0

Magnesium binding site 2 out of 2 in 2qs8

Go back to Magnesium Binding Sites List in 2qs8
Magnesium binding site 2 out of 2 in the Crystal Structure of A Xaa-Pro Dipeptidase with Bound Methionine in the Active Site


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of A Xaa-Pro Dipeptidase with Bound Methionine in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg500

b:32.2
occ:1.00
NE2 B:HIS71 2.1 26.1 1.0
O B:HOH834 2.1 33.4 1.0
NE2 B:HIS69 2.3 27.2 1.0
OD1 B:ASP328 2.5 26.6 1.0
CE1 B:HIS71 2.8 26.1 1.0
O B:HOH768 3.0 33.5 1.0
CD2 B:HIS71 3.2 24.1 1.0
CD2 B:HIS69 3.2 27.8 1.0
CG B:ASP328 3.3 27.0 1.0
NZ B:LYS194 3.3 38.2 1.0
CE1 B:HIS69 3.3 27.8 1.0
OD2 B:ASP328 3.6 28.3 1.0
ND1 B:HIS71 4.0 24.3 1.0
N B:MET700 4.1 42.6 1.0
CG B:HIS71 4.2 22.7 1.0
NE2 B:HIS255 4.3 28.0 1.0
CG B:HIS69 4.4 26.8 1.0
ND1 B:HIS69 4.4 28.4 1.0
CE1 B:HIS255 4.4 28.4 1.0
CB B:ASP328 4.5 26.0 1.0
CE B:LYS194 4.7 36.6 1.0
CG2 B:VAL113 4.8 23.1 1.0
CA B:ASP328 4.9 24.6 1.0
O B:HOH765 4.9 36.0 1.0
O B:VAL113 4.9 24.5 1.0
CA B:MET700 5.0 40.1 1.0

Reference:

D.F.Xiang, C.Xu, D.Kumaran, A.C.Brown, J.M.Sauder, S.K.Burley, S.Swaminathan, F.M.Raushel. Functional Annotation of Two New Carboxypeptidases From the Amidohydrolase Superfamily of Enzymes. Biochemistry V. 48 4567 2009.
ISSN: ISSN 0006-2960
PubMed: 19358546
DOI: 10.1021/BI900453U
Page generated: Mon Dec 14 07:37:14 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