Chlorine in PDB 5u4l: Rta-V1C7_G29R-High-Salt

All present enzymatic activity of Rta-V1C7_G29R-High-Salt:
3.2.2.22;

The structure of Rta-V1C7_G29R-High-Salt, PDB code: 5u4l was solved by M.J.Rudolph, N.Mantis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.90 / 2.50
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	64.970, 64.970, 215.968, 90.00, 90.00, 120.00
R / Rfree (%)	20.9 / 25.7

The binding sites of Chlorine atom in the Rta-V1C7_G29R-High-Salt (pdb code 5u4l). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Rta-V1C7_G29R-High-Salt, PDB code: 5u4l:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Rta-V1C7_G29R-High-Salt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Rta-V1C7_G29R-High-Salt within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:85.4 occ:1.00 NH2 A:ARG125 3.5 80.9 1.0 NE A:ARG125 3.5 69.7 1.0 ND2 A:ASN122 3.7 83.5 1.0 N A:GLY120 3.7 80.9 1.0 CZ A:ARG125 3.9 75.1 1.0 CA A:GLY120 4.1 77.5 1.0 CG A:ARG125 4.6 57.2 1.0 CD A:ARG125 4.6 60.8 1.0 CB A:ARG125 4.6 65.3 1.0 C A:PHE119 4.6 79.2 1.0 CA A:PHE119 4.8 77.0 1.0 CG A:ASN122 4.8 81.8 1.0 OD1 A:ASN122 5.0 84.7 1.0

Chlorine binding site 2 out of 5 in the Rta-V1C7_G29R-High-Salt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Rta-V1C7_G29R-High-Salt within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:77.5 occ:0.50 N A:ALA118 3.2 68.1 1.0 CB A:ALA118 3.7 64.1 1.0 CA A:PHE117 3.8 74.6 1.0 CD1 A:PHE117 4.0 80.0 1.0 C A:PHE117 4.0 71.9 1.0 CA A:ALA118 4.1 74.3 1.0 CE1 A:PHE119 4.1 75.6 1.0 CL A:CL307 4.2 0.1 0.5 CB A:PHE117 4.2 78.3 1.0 CD1 A:PHE119 4.4 76.5 1.0 CG A:PHE117 4.6 79.0 1.0

Chlorine binding site 3 out of 5 in the Rta-V1C7_G29R-High-Salt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Rta-V1C7_G29R-High-Salt within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:0.3 occ:1.00 O A:GLU127 3.2 67.3 1.0 C A:GLU127 3.5 66.7 1.0 CA A:GLN128 3.7 68.6 1.0 N A:GLN128 3.7 65.2 1.0 CD2 A:LEU133 4.2 62.4 1.0 CB A:GLU127 4.3 66.1 1.0 C A:GLN128 4.5 74.4 1.0 CA A:GLU127 4.5 67.4 1.0 O A:GLN128 4.6 74.9 1.0 N A:ASN132 4.6 68.4 1.0 C A:ASN132 4.7 72.2 1.0 O A:ASN132 4.8 70.7 1.0 CB A:GLN128 4.8 69.3 1.0 C A:GLY131 4.9 74.8 1.0 N A:LEU133 5.0 75.1 1.0 CG A:GLN128 5.0 78.6 1.0 CA A:ASN132 5.0 70.2 1.0

Chlorine binding site 4 out of 5 in the Rta-V1C7_G29R-High-Salt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Rta-V1C7_G29R-High-Salt within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:0.1 occ:0.50 O A:THR116 3.7 70.5 1.0 CL A:CL305 4.2 77.5 0.5 CB A:TYR115 4.3 97.0 1.0 C A:THR116 4.4 76.6 1.0 N A:THR116 4.6 84.3 1.0 CD2 A:TYR115 4.7 0.1 1.0 CA A:PHE117 4.8 74.6 1.0 N A:PHE117 4.9 75.2 1.0 CA A:TYR115 5.0 93.5 1.0

Chlorine binding site 5 out of 5 in the Rta-V1C7_G29R-High-Salt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Rta-V1C7_G29R-High-Salt within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl308 b:96.1 occ:1.00 NH1 A:ARG125 2.9 75.7 1.0 NH2 A:ARG125 3.5 80.9 1.0 CZ A:ARG125 3.6 75.1 1.0 NE2 A:GLN128 4.1 98.5 1.0 OE1 A:GLN128 4.7 92.2 1.0 CD A:GLN128 4.8 90.5 1.0 NE A:ARG125 4.9 69.7 1.0

A.Bazzoli, D.J.Vance, M.J.Rudolph, Y.Rong, S.K.Angalakurthi, R.T.Toth 4Th., C.R.Middaugh, D.B.Volkin, D.D.Weis, J.Karanicolas, N.J.Mantis. Using Homology Modeling to Interrogate Binding Affinity in Neutralization of Ricin Toxin By A Family of Single Domain Antibodies. Proteins V. 85 1994 2017.
ISSN: ESSN 1097-0134
PubMed: 28718923
DOI: 10.1002/PROT.25353