Chlorine in PDB 6ol5: Structure of IGLB12 Fab in Complex with Anti-Idiotype IB3 Fab

The structure of Structure of IGLB12 Fab in Complex with Anti-Idiotype IB3 Fab, PDB code: 6ol5 was solved by C.Weidle, M.Pancera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.41 / 2.90
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	75.551, 75.551, 389.714, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 25

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>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Chlorine atom in the Structure of IGLB12 Fab in Complex with Anti-Idiotype IB3 Fab (pdb code 6ol5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 13 binding sites of Chlorine where determined in the Structure of IGLB12 Fab in Complex with Anti-Idiotype IB3 Fab, PDB code: 6ol5:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 13 in the Structure of IGLB12 Fab in Complex with Anti-Idiotype IB3 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of IGLB12 Fab in Complex with Anti-Idiotype IB3 Fab within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl313 b:72.7 occ:1.00 N A:PCA1 3.2 79.2 1.0 H2 A:PCA1 3.4 95.1 1.0 OE A:PCA1 3.7 84.4 1.0 HA2 A:GLY26 3.7 57.9 1.0 O A:GLY26 3.8 32.3 1.0 CD A:PCA1 3.9 84.5 1.0 HA3 A:GLY26 4.3 57.9 1.0 CA A:GLY26 4.3 48.2 1.0 C A:GLY26 4.4 51.0 1.0 CA A:PCA1 4.5 64.4 1.0 C A:PCA1 4.8 59.4 1.0 HA A:PCA1 4.8 77.3 1.0

Chlorine binding site 2 out of 13 in the Structure of IGLB12 Fab in Complex with Anti-Idiotype IB3 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of IGLB12 Fab in Complex with Anti-Idiotype IB3 Fab within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl314 b:57.7 occ:1.00 H A:LEU4 2.4 57.3 1.0 HA A:GLN3 2.7 69.6 1.0 O A:HOH449 2.8 30.5 1.0 HB2 A:GLN3 3.1 64.4 1.0 N A:LEU4 3.2 47.8 1.0 CA A:GLN3 3.4 58.0 1.0 O A:TRP103 3.5 29.7 1.0 CB A:GLN3 3.6 53.7 1.0 O A:LEU4 3.7 46.1 1.0 HB3 A:GLN3 3.7 64.4 1.0 C A:GLN3 3.8 49.5 1.0 HA2 A:GLY104 3.9 35.6 1.0 HB2 A:LEU4 4.1 55.2 1.0 HG12 A:VAL102 4.2 43.2 1.0 CA A:LEU4 4.2 41.3 1.0 HG13 A:VAL102 4.3 43.2 1.0 C A:LEU4 4.4 44.2 1.0 O A:VAL2 4.5 62.0 1.0 CG1 A:VAL102 4.6 36.0 1.0 HG A:LEU4 4.6 49.0 1.0 HG11 A:VAL102 4.6 43.2 1.0 C A:TRP103 4.6 31.4 1.0 CB A:LEU4 4.6 46.0 1.0 N A:GLN3 4.7 43.0 1.0 CA A:GLY104 4.8 29.6 1.0 O A:HOH442 5.0 40.6 1.0 O A:GLN3 5.0 44.7 1.0

Chlorine binding site 3 out of 13 in the Structure of IGLB12 Fab in Complex with Anti-Idiotype IB3 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of IGLB12 Fab in Complex with Anti-Idiotype IB3 Fab within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl315 b:0.3 occ:1.00 O A:HOH457 2.9 44.4 1.0 HG A:SER180 3.5 96.2 1.0 HB3 A:SER180 3.9 85.0 1.0 O1 A:PO4311 4.1 0.3 1.0 O4 A:PO4311 4.2 0.8 1.0 OG A:SER180 4.2 80.2 1.0 N A:SER129 4.2 64.1 1.0 H A:SER129 4.5 76.9 1.0 CB A:SER180 4.5 70.9 1.0 O A:HOH406 4.6 51.6 1.0 P A:PO4311 4.6 0.8 1.0 HB2 A:SER180 4.8 85.0 1.0 O3 A:PO4311 4.9 0.6 1.0

Chlorine binding site 4 out of 13 in the Structure of IGLB12 Fab in Complex with Anti-Idiotype IB3 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of IGLB12 Fab in Complex with Anti-Idiotype IB3 Fab within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl306 b:78.5 occ:1.00 OD1 B:ASP30 2.8 59.8 1.0 HE3 H:LYS62 3.3 0.7 1.0 HG L:SER95 3.5 69.5 1.0 O L:HOH430 3.7 34.0 1.0 HG3 L:GLU1 3.8 73.6 1.0 HB3 L:SER95 3.8 39.9 1.0 OE1 L:GLU1 3.9 84.3 1.0 CG B:ASP30 3.9 46.7 1.0 HA B:ASP30 3.9 39.2 1.0 OG L:SER95 3.9 58.0 1.0 HB3 H:GLN61 4.0 45.0 1.0 HG3 H:LYS62 4.2 74.0 1.0 CE H:LYS62 4.2 0.9 1.0 OD2 B:ASP28 4.3 45.8 1.0 CB L:SER95 4.4 33.3 1.0 HE2 H:LYS62 4.4 0.7 1.0 CG L:GLU1 4.5 61.3 1.0 OD2 B:ASP30 4.6 40.7 1.0 CD L:GLU1 4.6 81.5 1.0 HG2 L:GLU1 4.6 73.6 1.0 H H:GLN61 4.7 50.6 1.0 CA B:ASP30 4.8 32.7 1.0 CB B:ASP30 4.8 40.1 1.0 HA L:SER95 4.8 39.9 1.0 HG22 L:THR97 4.9 50.0 1.0 HB2 B:ASP30 4.9 48.2 1.0 OE1 H:GLN61 4.9 43.4 1.0 HZ2 H:LYS62 4.9 1.0 1.0 CB H:GLN61 4.9 37.5 1.0 CG H:LYS62 4.9 61.7 1.0 OD1 B:ASP28 5.0 48.6 1.0

Chlorine binding site 5 out of 13 in the Structure of IGLB12 Fab in Complex with Anti-Idiotype IB3 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of IGLB12 Fab in Complex with Anti-Idiotype IB3 Fab within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl307 b:68.9 occ:1.00 HH22 B:ARG155 2.9 0.2 1.0 HE1 B:HIS189 3.3 73.7 1.0 NE2 B:HIS189 3.6 60.6 1.0 NH2 B:ARG155 3.7 84.3 1.0 CE1 B:HIS189 3.7 61.4 1.0 OE2 B:GLU185 3.7 70.9 1.0 HH21 B:ARG155 3.9 0.2 1.0 OE1 B:GLU185 4.5 83.4 1.0 CD B:GLU185 4.5 79.0 1.0 HH12 B:ARG155 4.5 0.8 1.0 CZ B:ARG155 4.8 80.2 1.0 CD2 B:HIS189 4.9 60.9 1.0

Chlorine binding site 6 out of 13 in the Structure of IGLB12 Fab in Complex with Anti-Idiotype IB3 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of IGLB12 Fab in Complex with Anti-Idiotype IB3 Fab within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl308 b:81.8 occ:1.00 OE2 B:GLU123 3.5 51.8 1.0 OE1 B:GLU123 3.6 50.9 1.0 CD B:GLU123 3.8 56.4 1.0 HG22 A:VAL206 4.1 49.9 1.0 HG3 A:PRO123 4.2 51.0 1.0 HG B:SER122 4.4 62.9 1.0 HG21 A:VAL206 4.5 49.9 1.0 CG2 A:VAL206 4.6 41.5 1.0 OG B:SER122 4.6 52.4 1.0 HG23 A:VAL206 4.7 49.9 1.0 HG2 A:PRO123 4.9 51.0 1.0

Chlorine binding site 7 out of 13 in the Structure of IGLB12 Fab in Complex with Anti-Idiotype IB3 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of IGLB12 Fab in Complex with Anti-Idiotype IB3 Fab within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl314 b:67.8 occ:1.00 HE2 H:LYS210 3.5 83.0 1.0 HE3 H:LYS210 3.6 83.0 1.0 CE H:LYS210 4.0 69.2 1.0 HA H:THR193 4.0 69.1 1.0 HZ1 H:LYS210 4.2 83.1 1.0 OG1 H:THR193 4.2 79.8 1.0 O H:GLN192 4.2 49.0 1.0 O H:GLY190 4.4 56.3 1.0 HG3 H:GLU212 4.6 96.4 1.0 HG1 H:THR193 4.6 95.7 1.0 HG23 H:THR193 4.6 63.5 1.0 NZ H:LYS210 4.6 69.3 1.0 CA H:THR193 4.8 57.6 1.0 C H:GLN192 4.8 52.9 1.0 CB H:THR193 5.0 54.9 1.0 HA2 H:GLY190 5.0 74.3 1.0

Chlorine binding site 8 out of 13 in the Structure of IGLB12 Fab in Complex with Anti-Idiotype IB3 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of IGLB12 Fab in Complex with Anti-Idiotype IB3 Fab within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl315 b:81.0 occ:1.00 O H:LYS19 3.2 40.0 1.0 HB3 H:SER21 3.5 40.4 1.0 HB3 H:LYS19 4.0 51.9 1.0 HG2 H:LYS19 4.0 46.2 1.0 HG H:SER7 4.2 42.4 1.0 HG H:SER21 4.2 60.3 1.0 C H:LYS19 4.2 38.0 1.0 HB3 H:SER7 4.3 37.3 1.0 CB H:SER21 4.3 33.7 1.0 OG H:SER21 4.4 50.2 1.0 HA H:VAL20 4.4 36.6 1.0 HD2 H:TYR79 4.4 53.0 1.0 HB2 H:SER7 4.4 37.3 1.0 HE2 H:TYR79 4.4 50.2 1.0 HD3 H:LYS19 4.5 61.0 1.0 H H:SER21 4.5 39.7 1.0 N H:SER21 4.6 33.1 1.0 OE2 H:GLU10 4.7 53.1 1.0 CB H:LYS19 4.7 43.2 1.0 CB H:SER7 4.7 31.1 1.0 CG H:LYS19 4.7 38.5 1.0 C H:VAL20 4.8 32.0 1.0 OG H:SER7 4.9 35.3 1.0 CA H:VAL20 5.0 30.5 1.0 HB2 H:SER21 5.0 40.4 1.0

Chlorine binding site 9 out of 13 in the Structure of IGLB12 Fab in Complex with Anti-Idiotype IB3 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Structure of IGLB12 Fab in Complex with Anti-Idiotype IB3 Fab within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl316 b:0.6 occ:1.00 HG H:SER128 2.3 0.6 1.0 H H:SER128 2.6 0.3 1.0 OG H:SER128 3.1 0.7 1.0 HB2 H:SER127 3.1 0.3 1.0 HN3 H:NH4307 3.4 0.9 1.0 N H:SER128 3.5 0.1 1.0 HB2 H:SER128 3.5 0.9 1.0 CB H:SER128 3.8 0.9 1.0 HA H:SER127 3.9 0.3 1.0 CB H:SER127 4.0 0.2 1.0 HN1 H:NH4308 4.0 0.8 1.0 HN4 H:NH4307 4.1 0.9 1.0 N H:NH4307 4.2 0.6 1.0 HN4 H:NH4308 4.2 0.8 1.0 CA H:SER128 4.2 0.1 1.0 CA H:SER127 4.3 0.6 1.0 HB3 H:SER127 4.3 0.3 1.0 C H:SER127 4.4 0.2 1.0 N H:NH4308 4.6 0.6 1.0 HN1 H:NH4307 4.6 0.9 1.0 HB3 H:SER128 4.6 0.9 1.0 HA H:SER128 4.8 0.7 1.0 H H:LYS129 4.9 0.5 1.0 HN2 H:NH4308 4.9 0.8 1.0 O H:LYS214 4.9 78.3 1.0 HN2 H:NH4307 5.0 0.9 1.0 OG H:SER127 5.0 0.3 1.0

Chlorine binding site 10 out of 13 in the Structure of IGLB12 Fab in Complex with Anti-Idiotype IB3 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Structure of IGLB12 Fab in Complex with Anti-Idiotype IB3 Fab within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl305 b:72.1 occ:1.00 HE22 L:GLN155 2.5 90.4 1.0 NE2 L:GLN155 3.2 75.3 1.0 OE1 L:GLN155 3.5 61.8 1.0 NE2 L:HIS189 3.8 59.6 1.0 CD L:GLN155 3.8 63.7 1.0 HE21 L:GLN155 3.9 90.4 1.0 HB L:VAL150 3.9 90.5 1.0 CE1 L:HIS189 4.3 62.4 1.0 O L:HOH446 4.3 43.3 1.0 CD2 L:HIS189 4.4 67.9 1.0 HE1 L:HIS189 4.4 74.9 1.0 HD2 L:HIS189 4.6 81.5 1.0 HG11 L:VAL150 4.6 86.6 1.0 HB3 L:ALA153 4.7 98.1 1.0 HG12 L:VAL150 4.8 86.6 1.0 CB L:VAL150 4.8 75.5 1.0 CG1 L:VAL150 4.9 72.1 1.0 HG21 L:VAL150 5.0 87.0 1.0

T.Bancroft, B.L.Debuysscher, C.Weidle, A.Schwartz, A.Wall, M.D.Gray, J.Feng, H.R.Steach, K.S.Fitzpatrick, M.M.Gewe, P.D.Skog, C.Doyle-Cooper, T.Ota, R.K.Strong, D.Nemazee, M.Pancera, L.Stamatatos, A.T.Mcguire, J.J.Taylor. Detection and Activation of Hiv Broadly Neutralizing Antibody Precursor B Cells Using Anti-Idiotypes. J.Exp.Med. V. 216 2331 2019.
ISSN: ESSN 1540-9538
PubMed: 31345930
DOI: 10.1084/JEM.20190164