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Magnesium in PDB 4h0i: Crystal Structure of Scfv-2D10 in Complex with Methyl Alpha-D- Mannopyranoside

Protein crystallography data

The structure of Crystal Structure of Scfv-2D10 in Complex with Methyl Alpha-D- Mannopyranoside, PDB code: 4h0i was solved by S.Tapryal, V.Gaur, K.J.Kaur, D.M.Salunke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.00 / 2.40
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 80.270, 80.270, 75.100, 90.00, 90.00, 120.00
R / Rfree (%) 22.9 / 24

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Scfv-2D10 in Complex with Methyl Alpha-D- Mannopyranoside (pdb code 4h0i). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Scfv-2D10 in Complex with Methyl Alpha-D- Mannopyranoside, PDB code: 4h0i:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 4h0i

Go back to Magnesium Binding Sites List in 4h0i
Magnesium binding site 1 out of 4 in the Crystal Structure of Scfv-2D10 in Complex with Methyl Alpha-D- Mannopyranoside


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 Scfv-2D10 in Complex with Methyl Alpha-D- Mannopyranoside within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg302

b:30.5
occ:1.00
N A:ASN172 3.8 34.7 1.0
CA A:ASN172 3.8 34.7 1.0
C A:SER171 3.9 43.8 1.0
CB A:SER171 4.0 68.4 1.0
O A:SER171 4.1 43.8 1.0
CB A:ASN172 4.2 45.1 1.0
CA A:SER171 4.6 43.8 1.0

Magnesium binding site 2 out of 4 in 4h0i

Go back to Magnesium Binding Sites List in 4h0i
Magnesium binding site 2 out of 4 in the Crystal Structure of Scfv-2D10 in Complex with Methyl Alpha-D- Mannopyranoside


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 Scfv-2D10 in Complex with Methyl Alpha-D- Mannopyranoside within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg303

b:30.5
occ:1.00
NZ A:LYS66 3.2 36.5 1.0
O A:HOH2049 3.5 30.5 1.0
N A:TYR61 3.6 26.7 1.0
CE A:LYS66 4.0 36.5 1.0
CA A:SER60 4.0 29.8 1.0
C A:SER60 4.3 29.8 1.0
O A:TYR61 4.4 26.7 1.0
O A:HOH2051 4.4 42.4 1.0
CD1 A:TYR61 4.4 24.1 1.0
CD A:LYS66 4.5 36.5 1.0
CA A:TYR61 4.6 26.7 1.0
CB A:SER60 4.7 34.2 1.0
CB A:TYR61 4.7 24.1 1.0
O A:THR59 4.9 22.5 1.0
C A:TYR61 4.9 26.7 1.0

Magnesium binding site 3 out of 4 in 4h0i

Go back to Magnesium Binding Sites List in 4h0i
Magnesium binding site 3 out of 4 in the Crystal Structure of Scfv-2D10 in Complex with Methyl Alpha-D- Mannopyranoside


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Scfv-2D10 in Complex with Methyl Alpha-D- Mannopyranoside within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg304

b:31.2
occ:1.00
O A:HOH2051 3.9 42.4 1.0

Magnesium binding site 4 out of 4 in 4h0i

Go back to Magnesium Binding Sites List in 4h0i
Magnesium binding site 4 out of 4 in the Crystal Structure of Scfv-2D10 in Complex with Methyl Alpha-D- Mannopyranoside


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Scfv-2D10 in Complex with Methyl Alpha-D- Mannopyranoside within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg305

b:31.2
occ:0.50
O A:HOH2073 3.4 27.5 1.0
OD1 A:ASN174 3.6 47.4 1.0
CG A:ASN174 4.7 47.4 1.0

Reference:

S.Tapryal, V.Gaur, K.J.Kaur, D.M.Salunke. Structural Evaluation of A Mimicry-Recognizing Paratope: Plasticity in Antigen-Antibody Interactions Manifests in Molecular Mimicry. J.Immunol. V. 191 456 2013.
ISSN: ISSN 0022-1767
PubMed: 23733869
DOI: 10.4049/JIMMUNOL.1203260
Page generated: Mon Dec 14 17:03:15 2020

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