Chlorine in PDB 5e1h: Ricin Toxin in Complex with Neutralizing Single Chain Monoclonal Antibodies (Vhhs)

Enzymatic activity of Ricin Toxin in Complex with Neutralizing Single Chain Monoclonal Antibodies (Vhhs)

All present enzymatic activity of Ricin Toxin in Complex with Neutralizing Single Chain Monoclonal Antibodies (Vhhs):
3.2.2.22;

Protein crystallography data

The structure of Ricin Toxin in Complex with Neutralizing Single Chain Monoclonal Antibodies (Vhhs), PDB code: 5e1h was solved by M.J.Rudolph, D.Vance, C.Shoemaker, N.Mantis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.89 / 2.03
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 88.472, 91.775, 95.143, 90.00, 90.00, 90.00
R / Rfree (%) 20.4 / 25.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Ricin Toxin in Complex with Neutralizing Single Chain Monoclonal Antibodies (Vhhs) (pdb code 5e1h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Ricin Toxin in Complex with Neutralizing Single Chain Monoclonal Antibodies (Vhhs), PDB code: 5e1h:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 5e1h

Go back to Chlorine Binding Sites List in 5e1h
Chlorine binding site 1 out of 3 in the Ricin Toxin in Complex with Neutralizing Single Chain Monoclonal Antibodies (Vhhs)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ricin Toxin in Complex with Neutralizing Single Chain Monoclonal Antibodies (Vhhs) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:62.8
occ:1.00
O A:HOH428 2.8 52.2 1.0
CD A:ARG166 3.7 42.8 1.0
OG A:SER167 3.8 30.1 1.0
CD1 A:ILE170 4.0 26.9 1.0
CG A:ARG166 4.0 38.5 1.0
NE A:ARG166 4.1 46.7 1.0
CG2 A:THR163 4.3 35.9 1.0
CB A:ARG166 4.5 33.5 1.0
O A:THR163 4.6 34.9 1.0
CB A:GLU146 4.6 35.7 1.0
N A:SER167 4.8 25.4 1.0
N A:ALA147 4.9 32.0 1.0
CA A:SER167 4.9 24.0 1.0
CA A:ALA147 4.9 26.4 1.0
C A:ARG166 4.9 26.5 1.0
O A:HOH457 4.9 28.6 1.0
CB A:SER167 4.9 24.0 1.0
C A:GLU146 4.9 34.0 1.0
OE1 A:GLU146 5.0 46.1 1.0

Chlorine binding site 2 out of 3 in 5e1h

Go back to Chlorine Binding Sites List in 5e1h
Chlorine binding site 2 out of 3 in the Ricin Toxin in Complex with Neutralizing Single Chain Monoclonal Antibodies (Vhhs)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ricin Toxin in Complex with Neutralizing Single Chain Monoclonal Antibodies (Vhhs) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:71.4
occ:1.00
O A:SER221 2.4 60.6 1.0
NE2 A:HIS40 2.4 48.3 1.0
C A:SER221 3.0 57.3 1.0
CE1 A:HIS40 3.2 50.9 1.0
CB A:SER221 3.2 41.8 1.0
O A:HOH405 3.3 42.2 1.0
CA A:SER221 3.5 46.8 1.0
CD2 A:HIS40 3.5 46.0 1.0
N A:SER221 3.7 44.1 1.0
O A:ILE218 3.7 34.4 1.0
OG A:SER221 4.0 44.3 1.0
N A:GLN223 4.0 45.6 1.0
N A:ASN222 4.1 61.0 1.0
N A:GLY224 4.1 36.7 1.0
ND1 A:HIS40 4.4 48.3 1.0
CA A:ASN222 4.5 61.6 1.0
C A:ASN222 4.5 52.1 1.0
C A:GLU220 4.6 45.3 1.0
CG A:HIS40 4.6 43.5 1.0
O A:GLN219 4.7 39.5 1.0
CA A:GLY224 4.7 32.6 1.0
C A:GLN223 4.8 38.9 1.0
CA A:GLN223 4.8 42.7 1.0
C A:GLN219 4.9 38.6 1.0
C A:ILE218 4.9 33.0 1.0

Chlorine binding site 3 out of 3 in 5e1h

Go back to Chlorine Binding Sites List in 5e1h
Chlorine binding site 3 out of 3 in the Ricin Toxin in Complex with Neutralizing Single Chain Monoclonal Antibodies (Vhhs)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Ricin Toxin in Complex with Neutralizing Single Chain Monoclonal Antibodies (Vhhs) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:58.3
occ:1.00
CZ A:PHE240 4.0 37.8 1.0
CD1 A:LEU232 4.3 25.8 1.0
CD1 A:LEU207 4.3 24.4 1.0
O A:GLN233 4.4 38.5 1.0
CE1 A:TYR183 4.5 36.0 1.0
CG A:LEU207 4.6 25.6 1.0
CD2 A:LEU207 4.6 22.0 1.0
CZ A:TYR183 4.6 36.3 1.0
CE1 A:PHE240 4.6 39.8 1.0
CD1 A:TYR183 4.7 32.3 1.0
CB A:SER203 4.7 34.5 1.0
CG2 A:ILE251 4.8 24.1 1.0
CE2 A:TYR183 4.8 32.9 1.0
CD1 A:ILE251 4.8 33.4 1.0
CG A:TYR183 4.9 29.5 1.0
CG1 A:ILE251 4.9 29.2 1.0
CD2 A:TYR183 4.9 29.1 1.0

Reference:

M.J.Rudolph, D.J.Vance, M.S.Cassidy, Y.Rong, C.B.Shoemaker, N.J.Mantis. Structural Analysis of Nested Neutralizing and Non-Neutralizing B Cell Epitopes on Ricin Toxin'S Enzymatic Subunit. Proteins V. 84 1162 2016.
ISSN: ESSN 1097-0134
PubMed: 27159829
DOI: 10.1002/PROT.25062
Page generated: Sat Dec 12 11:40:12 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