Chlorine in PDB 8g4p: Crystal Structure of the Peanut Allergen Ara H 2 Bound By Two Neutralizing Antibodies 13T1 and 13T5

The structure of Crystal Structure of the Peanut Allergen Ara H 2 Bound By Two Neutralizing Antibodies 13T1 and 13T5, PDB code: 8g4p was solved by L.C.Pedersen, G.A.Mueller, J.Min, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.55 / 2.25
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	136.302, 136.794, 96.819, 90, 127.34, 90
R / Rfree (%)	18.9 / 21.8

The binding sites of Chlorine atom in the Crystal Structure of the Peanut Allergen Ara H 2 Bound By Two Neutralizing Antibodies 13T1 and 13T5 (pdb code 8g4p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of the Peanut Allergen Ara H 2 Bound By Two Neutralizing Antibodies 13T1 and 13T5, PDB code: 8g4p:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the Crystal Structure of the Peanut Allergen Ara H 2 Bound By Two Neutralizing Antibodies 13T1 and 13T5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Peanut Allergen Ara H 2 Bound By Two Neutralizing Antibodies 13T1 and 13T5 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl402 b:70.5 occ:1.00 H C:LYS28 2.5 70.9 1.0 HB2 C:LYS28 3.1 69.8 1.0 HE1 C:TYR32 3.1 63.1 1.0 HB2 C:PHE27 3.3 67.5 1.0 N C:LYS28 3.3 58.9 1.0 HA C:PHE27 3.5 69.0 1.0 HG3 C:LYS28 3.6 71.0 1.0 HD2 C:LYS28 3.8 80.3 1.0 CB C:LYS28 3.8 58.0 1.0 CE1 C:TYR32 4.0 52.5 1.0 OH C:TYR32 4.0 58.4 1.0 CA C:PHE27 4.0 57.3 1.0 CB C:PHE27 4.1 56.0 1.0 CG C:LYS28 4.1 59.0 1.0 CA C:LYS28 4.2 59.9 1.0 C C:PHE27 4.2 58.4 1.0 CD C:LYS28 4.4 66.7 1.0 HB3 C:PHE27 4.5 67.5 1.0 CZ C:TYR32 4.5 52.6 1.0 HB3 C:LYS28 4.7 69.8 1.0 HD2 C:PHE27 4.7 64.7 1.0 HH C:TYR32 4.7 70.3 1.0 HA C:LYS28 4.9 72.1 1.0 HG2 C:LYS28 5.0 71.0 1.0 HD21 C:ASN31 5.0 79.9 1.0

Chlorine binding site 2 out of 7 in the Crystal Structure of the Peanut Allergen Ara H 2 Bound By Two Neutralizing Antibodies 13T1 and 13T5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Peanut Allergen Ara H 2 Bound By Two Neutralizing Antibodies 13T1 and 13T5 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl301 b:103.6 occ:1.00 H D:ASP124 2.7 104.5 1.0 HB2 D:ASP124 2.7 114.1 1.0 HG3 D:GLU125 3.1 109.6 1.0 HB2 D:SER123 3.2 102.9 1.0 H D:GLU125 3.2 101.7 1.0 N D:ASP124 3.4 87.0 1.0 CB D:ASP124 3.6 94.9 1.0 HG3 C:PRO134 3.8 106.5 1.0 HG2 C:PRO134 3.8 106.5 1.0 HG2 D:GLU125 3.9 109.6 1.0 CG D:GLU125 3.9 91.1 1.0 N D:GLU125 3.9 85.6 1.0 CA D:ASP124 4.0 90.8 1.0 HA D:SER123 4.0 100.7 1.0 OD2 D:ASP124 4.0 101.3 1.0 CB D:SER123 4.1 85.5 1.0 CG D:ASP124 4.2 101.1 1.0 CG C:PRO134 4.2 88.6 1.0 HB3 D:ASP124 4.3 114.1 1.0 C D:SER123 4.3 86.3 1.0 CA D:SER123 4.4 83.8 1.0 C D:ASP124 4.5 87.3 1.0 OE2 D:GLU125 4.5 120.0 1.0 HD2 C:PRO134 4.6 101.0 1.0 HB3 D:SER123 4.7 102.9 1.0 CD D:GLU125 4.8 112.1 1.0 OG D:SER123 4.9 85.9 1.0 HA D:ASP124 4.9 109.2 1.0 CD C:PRO134 4.9 84.0 1.0 CB D:GLU125 4.9 90.2 1.0 HG D:SER123 5.0 103.3 1.0

Chlorine binding site 3 out of 7 in the Crystal Structure of the Peanut Allergen Ara H 2 Bound By Two Neutralizing Antibodies 13T1 and 13T5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Peanut Allergen Ara H 2 Bound By Two Neutralizing Antibodies 13T1 and 13T5 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl302 b:79.1 occ:1.00 H D:ALA56 2.6 63.6 1.0 HA D:ALA55 3.3 61.5 1.0 N D:ALA56 3.4 52.8 1.0 HB2 D:ALA55 3.5 55.7 1.0 HB2 D:ALA56 3.5 76.0 1.0 HB3 D:ALA56 3.6 76.0 1.0 HG23 C:THR100 3.7 49.5 1.0 HG21 C:THR100 3.9 49.5 1.0 CB D:ALA56 4.0 63.2 1.0 CA D:ALA55 4.0 51.0 1.0 HE1 D:TYR49 4.0 56.2 1.0 CB D:ALA55 4.1 46.3 1.0 C D:ALA55 4.2 53.2 1.0 CG2 C:THR100 4.2 41.1 1.0 HB2 C:ASP112 4.3 50.1 1.0 CA D:ALA56 4.3 64.3 1.0 HB3 D:ALA55 4.3 55.7 1.0 HB3 C:ASP112 4.4 50.1 1.0 HD21 D:LEU46 4.4 51.5 1.0 CE1 D:TYR49 4.5 46.7 1.0 HG22 C:THR100 4.6 49.5 1.0 CB C:ASP112 4.8 41.6 1.0 OD2 C:ASP112 4.8 47.0 1.0 HB1 D:ALA56 4.9 76.0 1.0 HA D:ALA56 4.9 77.3 1.0 HB1 D:ALA55 5.0 55.7 1.0

Chlorine binding site 4 out of 7 in the Crystal Structure of the Peanut Allergen Ara H 2 Bound By Two Neutralizing Antibodies 13T1 and 13T5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Peanut Allergen Ara H 2 Bound By Two Neutralizing Antibodies 13T1 and 13T5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:78.9 occ:1.00 HH22 A:ARG50 2.9 56.6 1.0 HH12 A:ARG50 2.9 57.8 1.0 HD22 E:ASN96 3.0 58.6 1.0 NH2 A:ARG50 3.7 47.0 1.0 HZ2 A:TRP110 3.7 53.8 1.0 NH1 A:ARG50 3.7 48.0 1.0 ND2 E:ASN96 3.9 48.7 1.0 O B:HOH757 4.1 49.6 1.0 CZ2 A:TRP110 4.2 44.6 1.0 CZ A:ARG50 4.2 47.8 1.0 OD1 E:ASN96 4.2 53.2 1.0 HH21 A:ARG50 4.4 56.6 1.0 HH11 A:ARG50 4.4 57.8 1.0 HE1 A:TRP110 4.4 57.7 1.0 HD21 E:ASN96 4.5 58.6 1.0 CG E:ASN96 4.5 50.3 1.0 CE2 A:TRP110 4.6 48.5 1.0 NE1 A:TRP110 4.7 47.9 1.0 CH2 A:TRP110 4.9 41.5 1.0 HH2 A:TRP110 5.0 50.0 1.0

Chlorine binding site 5 out of 7 in the Crystal Structure of the Peanut Allergen Ara H 2 Bound By Two Neutralizing Antibodies 13T1 and 13T5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Peanut Allergen Ara H 2 Bound By Two Neutralizing Antibodies 13T1 and 13T5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:84.9 occ:1.00 H A:GLY174 2.9 71.4 1.0 HA A:SER173 3.2 78.5 1.0 N A:GLY174 3.7 59.3 1.0 HD2 B:LYS169 4.0 86.9 1.0 CA A:SER173 4.0 65.3 1.0 HB3 A:SER173 4.2 80.8 1.0 HD3 B:LYS169 4.3 86.9 1.0 OG A:SER173 4.4 69.1 1.0 CB A:SER173 4.4 67.2 1.0 C A:SER173 4.4 63.3 1.0 HA2 A:GLY174 4.5 64.2 1.0 CD B:LYS169 4.6 72.3 1.0 CA A:GLY174 4.7 53.3 1.0 HG A:SER173 4.9 83.1 1.0 O A:THR172 4.9 58.2 1.0

Chlorine binding site 6 out of 7 in the Crystal Structure of the Peanut Allergen Ara H 2 Bound By Two Neutralizing Antibodies 13T1 and 13T5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the Peanut Allergen Ara H 2 Bound By Two Neutralizing Antibodies 13T1 and 13T5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:80.4 occ:1.00 H A:SER28 2.6 62.3 1.0 HB3 A:SER28 3.1 59.7 1.0 N A:SER28 3.4 51.7 1.0 HA2 A:GLY27 3.7 64.0 1.0 HA3 A:GLY27 3.9 64.0 1.0 CB A:SER28 3.9 49.6 1.0 O A:HOH416 4.0 52.8 1.0 O A:HOH449 4.0 61.9 1.0 CA A:GLY27 4.1 53.2 1.0 CA A:SER28 4.2 47.3 1.0 HB2 A:SER28 4.2 59.7 1.0 C A:GLY27 4.2 52.1 1.0 O A:SER28 4.3 47.9 1.0 C A:SER28 4.7 50.5 1.0

Chlorine binding site 7 out of 7 in the Crystal Structure of the Peanut Allergen Ara H 2 Bound By Two Neutralizing Antibodies 13T1 and 13T5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of the Peanut Allergen Ara H 2 Bound By Two Neutralizing Antibodies 13T1 and 13T5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl603 b:76.0 occ:1.00 H B:ASP122 3.1 88.9 1.0 HB2 B:ASP122 3.1 98.5 1.0 HB2 B:SER121 3.2 81.3 1.0 H B:GLU123 3.2 91.0 1.0 N B:ASP122 3.7 73.9 1.0 N B:GLU123 4.0 75.7 1.0 CB B:ASP122 4.0 81.9 1.0 HB2 B:GLU123 4.0 98.8 1.0 CB B:SER121 4.1 67.5 1.0 HG2 A:PRO135 4.1 72.2 1.0 HG3 A:PRO135 4.1 72.2 1.0 HA B:SER121 4.2 78.2 1.0 CA B:ASP122 4.3 77.5 1.0 C B:SER121 4.5 68.9 1.0 CA B:SER121 4.5 65.0 1.0 CG A:PRO135 4.5 60.8 1.0 C B:ASP122 4.6 77.9 1.0 HB3 B:SER121 4.6 81.3 1.0 HB3 B:ASP122 4.6 98.5 1.0 HB3 B:GLU123 4.6 98.8 1.0 HD2 A:PRO135 4.7 72.7 1.0 CB B:GLU123 4.7 82.2 1.0 CG B:ASP122 4.7 82.3 1.0 OD2 B:ASP122 4.7 88.9 1.0 OG B:SER121 4.9 68.3 1.0 CA B:GLU123 4.9 80.5 1.0 HG B:SER121 5.0 82.1 1.0

J.Min, T.Keswani, N.A.La Hood, I.R.Lytle, O.Marini-Rapoport, L.Andrieux, S.L.Sneed, L.L.Edwards, R.M.Petrovich, L.Perera, A.Pomes, L.C.Pedersen, S.U.Patil, G.A.Mueller. Design of An Ara H 2 Hypoallergen From Conformational Epitotes Clin Exp Allergy 2023.
ISSN: ESSN 1365-2222