Chlorine in PDB 1lfa: CD11A I-Domain with Bound Mn++

The structure of CD11A I-Domain with Bound Mn++, PDB code: 1lfa was solved by D.J.Leahy, A.Qu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	131.130, 45.450, 66.130, 90.00, 99.80, 90.00
R / Rfree (%)	19 / 25.1

The structure of CD11A I-Domain with Bound Mn++ also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Chlorine atom in the CD11A I-Domain with Bound Mn++ (pdb code 1lfa). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the CD11A I-Domain with Bound Mn++, PDB code: 1lfa:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the CD11A I-Domain with Bound Mn++


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of CD11A I-Domain with Bound Mn++ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:14.3 occ:1.00 H1 A:HOH533 2.3 0.0 1.0 MN A:MN500 2.5 11.1 1.0 H A:SER141 2.7 18.0 1.0 OG A:SER141 3.1 12.6 1.0 H1 A:HOH530 3.1 0.0 1.0 O A:HOH2 3.2 10.1 1.0 O A:HOH533 3.2 10.2 1.0 H2 A:HOH533 3.2 0.0 1.0 OG A:SER139 3.3 9.9 1.0 CB A:SER141 3.4 11.6 1.0 CB A:SER139 3.4 4.6 1.0 H2 A:HOH2 3.5 0.0 1.0 O A:HOH1 3.6 9.3 1.0 N A:SER141 3.6 11.2 1.0 H2 A:HOH1 3.6 0.0 1.0 H A:MET140 3.7 18.0 1.0 CG A:MET140 3.9 26.1 1.0 HG A:SER139 4.0 18.0 1.0 H1 A:HOH2 4.0 0.0 1.0 O A:HOH530 4.0 14.6 1.0 HG A:SER141 4.0 18.0 1.0 N A:MET140 4.1 9.7 1.0 OG1 A:THR206 4.1 6.5 1.0 H2 A:HOH704 4.1 0.0 1.0 CA A:SER141 4.1 13.4 1.0 HG1 A:THR206 4.1 18.0 1.0 H1 A:HOH528 4.2 0.0 1.0 H2 A:HOH530 4.2 0.0 1.0 O A:HOH528 4.3 9.5 1.0 H1 A:HOH1 4.4 0.0 1.0 CE A:MET140 4.5 41.6 1.0 O A:LEU204 4.5 9.4 1.0 H1 A:HOH704 4.5 0.0 1.0 C A:SER139 4.5 9.3 1.0 OD1 A:ASP239 4.6 11.1 1.0 C A:MET140 4.6 13.3 1.0 CA A:SER139 4.6 9.5 1.0 O A:HOH704 4.7 24.4 1.0 CA A:MET140 4.7 13.8 1.0 CB A:MET140 4.9 17.9 1.0

Chlorine binding site 2 out of 2 in the CD11A I-Domain with Bound Mn++


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of CD11A I-Domain with Bound Mn++ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:16.9 occ:1.00 H2 B:HOH585 2.1 0.0 1.0 MN B:MN500 2.5 12.0 1.0 H B:SER141 2.6 18.0 1.0 O B:HOH585 3.0 10.4 1.0 H1 B:HOH585 3.1 0.0 1.0 OG B:SER141 3.1 11.9 1.0 OG B:SER139 3.1 12.6 1.0 HG B:SER139 3.2 18.0 1.0 O B:HOH4 3.3 14.0 1.0 CB B:SER139 3.3 8.1 1.0 CB B:SER141 3.3 11.4 1.0 H1 B:HOH756 3.4 0.0 1.0 H2 B:HOH4 3.4 0.0 1.0 N B:SER141 3.5 14.9 1.0 H B:MET140 3.6 18.0 1.0 O B:HOH3 3.7 7.1 1.0 CG B:MET140 3.8 23.7 1.0 H1 B:HOH3 3.9 0.0 1.0 N B:MET140 4.0 11.9 1.0 H1 B:HOH589 4.0 0.0 1.0 CA B:SER141 4.0 13.0 1.0 OG1 B:THR206 4.0 9.7 1.0 HG B:SER141 4.1 18.0 1.0 H2 B:HOH586 4.1 0.0 1.0 HG1 B:THR206 4.1 18.0 1.0 H1 B:HOH4 4.2 0.0 1.0 O B:HOH586 4.3 17.1 1.0 H2 B:HOH729 4.3 0.0 1.0 O B:HOH756 4.3 34.8 1.0 O B:LEU204 4.3 8.9 1.0 H1 B:HOH729 4.4 0.0 1.0 C B:SER139 4.4 12.9 1.0 CA B:SER139 4.5 9.5 1.0 C B:MET140 4.5 15.1 1.0 O B:HOH589 4.5 13.2 1.0 H2 B:HOH3 4.5 0.0 1.0 OD1 B:ASP239 4.6 9.7 1.0 CA B:MET140 4.6 14.9 1.0 CE B:MET140 4.6 34.9 1.0 H2 B:HOH756 4.7 0.0 1.0 O B:HOH729 4.8 14.5 1.0 CB B:MET140 4.8 18.1 1.0 H B:LEU142 4.9 18.0 1.0

A.Qu, D.J.Leahy. Crystal Structure of the I-Domain From the CD11A/CD18 (Lfa-1, Alpha L Beta 2) Integrin. Proc.Natl.Acad.Sci.Usa V. 92 10277 1995.
ISSN: ISSN 0027-8424
PubMed: 7479767
DOI: 10.1073/PNAS.92.22.10277