Chlorine in PDB 3s7i: Crystal Structure of Ara H 1

The structure of Crystal Structure of Ara H 1, PDB code: 3s7i was solved by M.Chruszcz, S.J.Maleki, R.Solberg, W.Minor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.13 / 2.35
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	92.886, 92.886, 231.552, 90.00, 90.00, 120.00
R / Rfree (%)	20.3 / 24.4

The binding sites of Chlorine atom in the Crystal Structure of Ara H 1 (pdb code 3s7i). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Ara H 1, PDB code: 3s7i:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Ara H 1


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 Ara H 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:56.3 occ:1.00 O A:HOH126 2.9 24.7 1.0 NE2 A:HIS447 3.2 19.3 1.0 NE A:ARG540 3.3 17.8 1.0 SD A:MET512 3.6 27.1 1.0 CE A:MET512 3.9 18.4 1.0 NH2 A:ARG540 3.9 21.7 1.0 CD2 A:HIS447 3.9 19.6 1.0 ND2 A:ASN449 4.1 12.3 1.0 CZ A:ARG540 4.1 17.5 1.0 CE1 A:HIS447 4.2 19.3 1.0 CD A:ARG540 4.2 18.0 1.0 CE A:MET444 4.3 21.1 1.0 SD A:MET444 4.8 24.7 1.0 CG A:ARG540 4.9 17.3 1.0 CG A:ASN449 4.9 15.8 1.0 CD1 A:LEU414 5.0 18.5 1.0 OD1 A:ASN449 5.0 17.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Ara H 1


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 Ara H 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1 b:80.4 occ:1.00 NE2 B:HIS447 3.0 60.2 1.0 NE B:ARG540 3.1 54.7 1.0 CE B:MET512 3.6 56.0 1.0 SD B:MET512 3.6 63.6 1.0 CD2 B:HIS447 3.6 59.6 1.0 O B:HOH128 3.7 51.5 1.0 NH2 B:ARG540 3.8 56.3 1.0 ND2 B:ASN449 3.9 46.8 1.0 CZ B:ARG540 3.9 54.0 1.0 CD B:ARG540 4.0 56.3 1.0 CE1 B:HIS447 4.1 62.5 1.0 CE B:MET444 4.2 64.0 1.0 CG B:ARG540 4.7 55.0 1.0 CG B:ASN449 4.7 49.2 1.0 SD B:MET444 4.8 67.4 1.0 CG B:HIS447 4.9 62.6 1.0 OD1 B:ASN449 4.9 50.5 1.0

M.Chruszcz, S.J.Maleki, K.A.Majorek, M.Demas, M.Bublin, R.Solberg, B.K.Hurlburt, S.Ruan, C.P.Mattisohn, H.Breiteneder, W.Minor. Structural and Immunologic Characterization of Ara H 1, A Major Peanut Allergen. J.Biol.Chem. V. 286 39318 2011.
ISSN: ISSN 0021-9258
PubMed: 21917921
DOI: 10.1074/JBC.M111.270132