Chlorine in PDB 3s7e: Crystal Structure of Ara H 1

The structure of Crystal Structure of Ara H 1, PDB code: 3s7e 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)	25.69 / 2.71
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	93.368, 93.368, 237.111, 90.00, 90.00, 120.00
R / Rfree (%)	23.6 / 26

The binding sites of Chlorine atom in the Crystal Structure of Ara H 1 (pdb code 3s7e). 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: 3s7e:
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:31.9 occ:1.00 CE A:MET512 3.5 17.5 1.0 ND2 A:ASN449 3.8 14.5 1.0 SD A:MET512 3.9 17.4 1.0 NE A:ARG540 4.0 16.3 1.0 NE2 A:HIS447 4.2 16.9 1.0 CG2 A:VAL454 4.5 13.7 1.0 NH2 A:ARG540 4.6 15.9 1.0 CZ A:ARG540 4.8 16.4 1.0 CG A:ASN449 4.8 14.5 1.0 CD A:ARG540 4.8 16.8 1.0 CD1 A:LEU414 4.8 18.5 1.0 CG1 A:VAL454 4.9 14.0 1.0 CB A:VAL454 5.0 13.8 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:32.6 occ:1.00 NE B:ARG540 3.2 17.9 1.0 ND2 B:ASN449 3.5 16.7 1.0 CE B:MET512 3.5 19.2 1.0 NE2 B:HIS447 3.8 18.4 1.0 CD B:ARG540 4.0 18.2 1.0 NH2 B:ARG540 4.1 17.7 1.0 CZ B:ARG540 4.1 18.0 1.0 CG B:ASN449 4.4 16.7 1.0 SD B:MET512 4.4 18.8 1.0 OD1 B:ASN449 4.4 16.8 1.0 CD2 B:HIS447 4.5 18.3 1.0 CD1 B:LEU414 4.6 19.9 1.0 CG2 B:VAL454 4.7 16.3 1.0 CE B:MET444 4.8 19.4 1.0 CE1 B:HIS447 4.8 18.9 1.0 CG B:ARG540 4.8 18.0 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