Atomistry » Manganese » PDB 1pj4-1r1o » 1qgl
Atomistry »
  Manganese »
    PDB 1pj4-1r1o »
      1qgl »

Manganese in PDB 1qgl: Room Temperature Structure of Concanavalin A Complexed to Bivalent Ligand

Protein crystallography data

The structure of Room Temperature Structure of Concanavalin A Complexed to Bivalent Ligand, PDB code: 1qgl was solved by J.H.Naismith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 26.00 / 2.66
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 99.100, 127.400, 118.900, 90.00, 90.00, 90.00
R / Rfree (%) 17.6 / 20

Other elements in 1qgl:

The structure of Room Temperature Structure of Concanavalin A Complexed to Bivalent Ligand also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Room Temperature Structure of Concanavalin A Complexed to Bivalent Ligand (pdb code 1qgl). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Room Temperature Structure of Concanavalin A Complexed to Bivalent Ligand, PDB code: 1qgl:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 1qgl

Go back to Manganese Binding Sites List in 1qgl
Manganese binding site 1 out of 2 in the Room Temperature Structure of Concanavalin A Complexed to Bivalent Ligand


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Room Temperature Structure of Concanavalin A Complexed to Bivalent Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn239

b:14.0
occ:1.00
O A:HOH245 2.2 14.3 1.0
OE2 A:GLU8 2.2 18.3 1.0
OD2 A:ASP10 2.2 15.1 1.0
NE2 A:HIS24 2.2 14.0 1.0
OD1 A:ASP19 2.2 19.8 1.0
O A:HOH244 2.4 9.3 1.0
CE1 A:HIS24 3.1 12.4 1.0
CG A:ASP19 3.2 18.1 1.0
CG A:ASP10 3.2 16.9 1.0
CD2 A:HIS24 3.3 13.4 1.0
CD A:GLU8 3.3 19.2 1.0
CB A:ASP10 3.5 17.0 1.0
OD2 A:ASP19 3.6 18.0 1.0
OE1 A:GLU8 3.7 17.6 1.0
O A:HOH242 3.9 11.4 1.0
OG A:SER34 4.1 17.7 1.0
CA A:CA240 4.3 16.6 1.0
ND1 A:HIS24 4.3 14.7 1.0
OD1 A:ASP10 4.3 17.4 1.0
CB A:ASP19 4.4 18.4 1.0
CG A:HIS24 4.4 15.0 1.0
CG A:GLU8 4.6 19.0 1.0
O A:VAL32 4.6 26.6 1.0
CA A:ASP19 4.7 21.4 1.0
CD A:PRO20 5.0 25.6 1.0

Manganese binding site 2 out of 2 in 1qgl

Go back to Manganese Binding Sites List in 1qgl
Manganese binding site 2 out of 2 in the Room Temperature Structure of Concanavalin A Complexed to Bivalent Ligand


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Room Temperature Structure of Concanavalin A Complexed to Bivalent Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn239

b:25.8
occ:1.00
O B:HOH246 2.2 24.0 1.0
O B:HOH245 2.2 18.1 1.0
NE2 B:HIS24 2.2 21.2 1.0
OE2 B:GLU8 2.2 24.7 1.0
OD1 B:ASP19 2.2 31.8 1.0
OD2 B:ASP10 2.3 24.5 1.0
CE1 B:HIS24 3.0 22.0 1.0
CG B:ASP19 3.1 29.2 1.0
CG B:ASP10 3.2 24.8 1.0
CD2 B:HIS24 3.3 22.5 1.0
CD B:GLU8 3.3 23.1 1.0
CB B:ASP10 3.5 23.8 1.0
OD2 B:ASP19 3.5 28.2 1.0
OE1 B:GLU8 3.7 23.6 1.0
O B:HOH243 3.8 19.7 1.0
CA B:CA240 4.2 25.4 1.0
ND1 B:HIS24 4.2 23.2 1.0
OG B:SER34 4.2 28.4 1.0
CB B:ASP19 4.3 28.8 1.0
OD1 B:ASP10 4.3 26.0 1.0
CG B:HIS24 4.3 21.9 1.0
CG B:GLU8 4.6 22.5 1.0
CA B:ASP19 4.6 30.1 1.0
O B:VAL32 4.7 32.0 1.0
CD B:PRO20 5.0 31.7 1.0

Reference:

S.M.Dimick, S.C.Powell, S.A.Mcmahon, D.N.Moothoo, J.H.Naismith, E.J.Toone. On the Meaning of Affinity: Cluster Glycoside Effects and Concanavalin A J.Am.Chem.Soc. V. 121 10286 1999.
ISSN: ISSN 0002-7863
Page generated: Tue Dec 15 03:54:42 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