Atomistry » Manganese » PDB 5vqn-5wg9 » 5wey
Atomistry »
  Manganese »
    PDB 5vqn-5wg9 »
      5wey »

Manganese in PDB 5wey: Joint X-Ray/Neutron Structure of Concanavalin A with ALPHA1-2 D- Mannobiose

Protein crystallography data

The structure of Joint X-Ray/Neutron Structure of Concanavalin A with ALPHA1-2 D- Mannobiose, PDB code: 5wey was solved by A.Kovalevsky, O.O.Gerlits, R.J.Woods, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 1.80
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 66.563, 86.618, 91.808, 90.00, 90.00, 90.00
R / Rfree (%) 24.7 / 28.5

Other elements in 5wey:

The structure of Joint X-Ray/Neutron Structure of Concanavalin A with ALPHA1-2 D- Mannobiose also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Manganese Binding Sites:

The binding sites of Manganese atom in the Joint X-Ray/Neutron Structure of Concanavalin A with ALPHA1-2 D- Mannobiose (pdb code 5wey). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Joint X-Ray/Neutron Structure of Concanavalin A with ALPHA1-2 D- Mannobiose, PDB code: 5wey:

Manganese binding site 1 out of 1 in 5wey

Go back to Manganese Binding Sites List in 5wey
Manganese binding site 1 out of 1 in the Joint X-Ray/Neutron Structure of Concanavalin A with ALPHA1-2 D- Mannobiose


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Joint X-Ray/Neutron Structure of Concanavalin A with ALPHA1-2 D- Mannobiose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn301

b:17.5
occ:1.00
OD2 A:ASP10 2.1 10.3 1.0
OE1 A:GLU8 2.3 15.7 1.0
NE2 A:HIS24 2.3 17.8 1.0
OD1 A:ASP19 2.4 14.7 1.0
O A:DOD442 2.4 17.1 1.0
O A:DOD454 2.5 19.5 1.0
D2 A:DOD454 2.8 19.7 1.0
D1 A:DOD454 2.9 20.7 1.0
D2 A:DOD442 2.9 17.2 1.0
D1 A:DOD442 3.1 18.9 1.0
CG A:ASP10 3.1 13.8 1.0
CG A:ASP19 3.2 15.8 1.0
CE1 A:HIS24 3.2 19.2 1.0
HB2 A:ASP10 3.2 13.7 1.0
D1 A:DOD456 3.3 16.0 1.0
D1 A:DOD460 3.3 38.0 1.0
CD A:GLU8 3.3 15.0 1.0
HE1 A:HIS24 3.4 17.0 1.0
CD2 A:HIS24 3.4 20.3 1.0
OD2 A:ASP19 3.5 18.1 1.0
CB A:ASP10 3.5 14.1 1.0
HB3 A:ASP10 3.5 14.7 1.0
OE2 A:GLU8 3.6 15.7 1.0
HD2 A:HIS24 3.6 17.7 1.0
O A:DOD456 4.0 17.3 1.0
HA A:ASP19 4.0 20.1 1.0
O A:DOD460 4.1 38.4 1.0
HD2 A:PRO20 4.2 26.6 1.0
CA A:CA302 4.2 17.5 1.0
OD1 A:ASP10 4.3 13.0 1.0
OG A:SER34 4.3 17.3 1.0
ND1 A:HIS24 4.4 19.6 1.0
CB A:ASP19 4.4 17.1 1.0
CG A:HIS24 4.5 17.9 1.0
D2 A:DOD460 4.5 38.3 1.0
HD13 A:LEU230 4.6 21.1 1.0
HB3 A:ASP19 4.6 16.4 1.0
O A:VAL32 4.6 20.4 1.0
CG A:GLU8 4.6 15.1 1.0
HG3 A:GLU8 4.6 14.7 1.0
HG A:SER34 4.7 17.7 0.2
DG A:SER34 4.7 17.7 0.8
HG23 A:VAL32 4.7 19.3 1.0
CA A:ASP19 4.8 19.9 1.0
D2 A:DOD456 4.8 17.4 1.0
O A:DOD459 4.8 33.4 1.0
H A:SER34 4.8 19.7 0.8
D A:SER34 4.8 19.7 0.2
HD3 A:PRO20 4.8 26.0 1.0
HG22 A:THR37 4.9 19.3 1.0

Reference:

O.O.Gerlits, L.Coates, R.J.Woods, A.Kovalevsky. Mannobiose Binding Induces Changes in Hydrogen Bonding and Protonation States of Acidic Residues in Concanavalin A As Revealed By Neutron Crystallography. Biochemistry V. 56 4747 2017.
ISSN: ISSN 1520-4995
PubMed: 28846383
DOI: 10.1021/ACS.BIOCHEM.7B00654
Page generated: Tue Dec 15 04:48:29 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