Chlorine in PDB 2rtb: Apostreptavidin, pH 3.32, Space Group I222

The structure of Apostreptavidin, pH 3.32, Space Group I222, PDB code: 2rtb was solved by B.A.Katz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	7.50 / 1.50
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	94.780, 105.320, 47.360, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 25.8

The structure of Apostreptavidin, pH 3.32, Space Group I222 also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Apostreptavidin, pH 3.32, Space Group I222 (pdb code 2rtb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Apostreptavidin, pH 3.32, Space Group I222, PDB code: 2rtb:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Apostreptavidin, pH 3.32, Space Group I222


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Apostreptavidin, pH 3.32, Space Group I222 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1464 b:59.8 occ:0.85 HH B:TYR43 1.8 19.1 1.0 HG B:SER27 1.8 17.6 1.0 HD21 B:ASN23 2.2 21.5 1.0 NA B:NA403 2.2 78.8 1.0 HE1 B:TYR43 2.7 14.2 1.0 OG B:SER27 2.8 15.5 1.0 OH B:TYR43 2.8 21.9 1.0 HB2 B:SER27 2.9 14.8 1.0 ND2 B:ASN23 3.1 20.3 1.0 HD11 B:LEU25 3.2 27.5 1.0 CB B:SER27 3.2 15.2 1.0 HB3 B:SER27 3.3 15.1 1.0 HD22 B:ASN23 3.5 19.8 1.0 CE1 B:TYR43 3.5 14.3 1.0 CZ B:TYR43 3.5 16.6 1.0 HZ2 B:TRP92 3.7 11.8 1.0 HA B:SER45 3.7 29.7 1.0 HB2 B:LEU25 3.8 22.3 1.0 OG B:SER45 3.9 29.4 1.0 H B:ALA46 3.9 29.4 1.0 HG21 B:VAL47 4.0 29.4 1.0 OD2 B:ASP128 4.0 14.3 1.0 CG B:ASN23 4.1 18.3 1.0 CD1 B:LEU25 4.2 27.8 1.0 OD1 B:ASN23 4.3 18.6 1.0 HD12 B:LEU25 4.3 27.9 1.0 HB2 B:SER45 4.3 31.8 1.0 CB B:SER45 4.5 31.3 1.0 H B:SER27 4.6 17.8 1.0 CA B:SER45 4.6 29.9 1.0 CA B:SER27 4.6 15.7 1.0 HZ B:PHE130 4.7 12.4 1.0 CB B:LEU25 4.7 22.5 1.0 CZ2 B:TRP92 4.7 12.8 1.0 HG B:SER45 4.8 28.9 1.0 CD1 B:TYR43 4.8 14.8 1.0 HD13 B:LEU25 4.8 27.4 1.0 H B:VAL47 4.8 28.9 1.0 CG B:ASP128 4.8 22.6 1.0 HE1 B:TRP92 4.8 16.1 1.0 N B:ALA46 4.8 30.4 1.0 CE2 B:TYR43 4.9 17.9 1.0 CG2 B:VAL47 4.9 29.1 1.0 HB3 B:LEU25 5.0 23.1 1.0 HG23 B:VAL47 5.0 28.6 1.0 CG B:LEU25 5.0 26.8 1.0

Chlorine binding site 2 out of 3 in the Apostreptavidin, pH 3.32, Space Group I222


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Apostreptavidin, pH 3.32, Space Group I222 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl503 b:45.1 occ:0.55 H1 D:HOH401 2.3 50.2 1.0 H1 D:HOH501 2.5 36.7 1.0 HA3 D:GLY48 2.9 37.1 1.0 H2 D:HOH401 3.1 50.5 1.0 O D:HOH401 3.2 48.8 1.0 HG D:SER45 3.4 41.9 1.0 O D:HOH501 3.4 36.4 1.0 O D:VAL47 3.5 33.2 1.0 HD12 D:LEU110 3.6 29.4 1.0 H2 D:HOH501 3.6 35.8 1.0 HB1 D:ALA50 3.9 43.4 1.0 HG22 D:VAL47 3.9 32.0 1.0 CA D:GLY48 3.9 37.0 1.0 HD13 D:LEU110 4.0 29.3 1.0 H D:ASN49 4.1 43.6 1.0 CE2 D:TRP79 4.1 19.3 1.0 CZ2 D:TRP79 4.2 20.7 1.0 HA2 D:GLY48 4.2 36.8 1.0 CD1 D:LEU110 4.3 29.9 1.0 OG D:SER45 4.3 40.5 1.0 C D:VAL47 4.3 33.6 1.0 HZ2 D:TRP79 4.4 21.2 1.0 CD2 D:TRP79 4.5 18.5 1.0 NE1 D:TRP79 4.5 21.8 1.0 HB2 D:SER45 4.5 40.1 1.0 CH2 D:TRP79 4.5 19.3 1.0 N D:GLY48 4.6 35.1 1.0 HG1 D:THR90 4.6 13.2 1.0 HB3 D:SER45 4.6 39.5 1.0 HE1 D:TRP79 4.7 18.0 1.0 CB D:SER45 4.8 40.7 1.0 N D:ASN49 4.8 44.0 1.0 CE3 D:TRP79 4.8 19.1 1.0 CZ3 D:TRP79 4.8 16.1 1.0 C D:GLY48 4.8 38.0 1.0 CB D:ALA50 4.9 43.5 1.0 HD11 D:LEU110 5.0 29.6 1.0 CG D:TRP79 5.0 16.6 1.0 CG2 D:VAL47 5.0 32.1 1.0 HH2 D:TRP79 5.0 18.8 1.0 CD1 D:TRP79 5.0 14.8 1.0

Chlorine binding site 3 out of 3 in the Apostreptavidin, pH 3.32, Space Group I222


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Apostreptavidin, pH 3.32, Space Group I222 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1459 b:37.6 occ:0.56 H2 D:HOH508 1.5 46.4 1.0 HH D:TYR43 1.8 18.6 1.0 HG D:SER27 2.4 19.2 1.0 HD21 D:ASN23 2.4 24.6 1.0 O D:HOH508 2.5 45.1 1.0 H1 D:HOH508 2.7 46.2 1.0 OH D:TYR43 2.8 20.9 1.0 HD11 D:LEU25 2.8 35.3 1.0 HE1 D:TYR43 2.9 17.3 1.0 HD22 D:ASN23 3.1 24.5 1.0 ND2 D:ASN23 3.1 26.6 1.0 OG D:SER27 3.1 18.4 1.0 HB2 D:SER27 3.1 20.5 1.0 CB D:SER27 3.4 22.2 1.0 HB3 D:SER27 3.4 21.1 1.0 HZ2 D:TRP92 3.5 12.2 1.0 CZ D:TYR43 3.6 16.8 1.0 CE1 D:TYR43 3.6 16.5 1.0 OG D:SER45 3.9 40.5 1.0 CD1 D:LEU25 3.9 36.1 1.0 HG21 D:VAL47 3.9 32.0 1.0 H2 D:HOH501 4.0 35.8 1.0 OD2 D:ASP128 4.0 20.5 1.0 HA D:SER45 4.0 38.3 1.0 H D:ALA46 4.2 38.0 1.0 HD12 D:LEU25 4.2 35.3 1.0 HB2 D:LEU25 4.2 32.6 1.0 HD13 D:LEU25 4.3 34.9 1.0 CG D:ASN23 4.3 19.7 1.0 HG D:SER45 4.4 41.9 1.0 HB2 D:SER45 4.4 40.1 1.0 CZ2 D:TRP92 4.5 12.5 1.0 HE1 D:TRP92 4.5 9.8 1.0 CB D:SER45 4.6 40.7 1.0 HG23 D:VAL47 4.7 31.9 1.0 OD1 D:ASN23 4.7 19.9 1.0 CG2 D:VAL47 4.7 32.1 1.0 HZ D:PHE130 4.7 13.7 1.0 HG22 D:VAL47 4.8 32.0 1.0 CG D:ASP128 4.8 21.3 1.0 CA D:SER45 4.8 38.7 1.0 O D:HOH501 4.8 36.4 1.0 CG D:LEU25 4.9 35.7 1.0 HH2 D:TRP79 4.9 18.8 1.0 H D:VAL47 4.9 34.0 1.0 CD1 D:TYR43 4.9 18.2 1.0 CE2 D:TYR43 4.9 21.5 1.0 CA D:SER27 4.9 22.5 1.0 HG D:LEU25 5.0 35.2 1.0 OD1 D:ASP128 5.0 30.5 1.0 H D:SER27 5.0 25.1 1.0 CB D:LEU25 5.0 31.4 1.0

B.A.Katz, B.A.Katz. N/A N/A.
ISSN: ISSN 0022-2836
PubMed: 9405158
DOI: 10.1006/JMBI.1997.1444