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

Protein crystallography data

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

Other elements in 1lfa:

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

Manganese (Mn) 2 atoms

Chlorine Binding Sites:

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 1lfa

Go back to Chlorine Binding Sites List in 1lfa
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 1lfa

Go back to Chlorine Binding Sites List in 1lfa
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

Reference:

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
Page generated: Sat Dec 12 08:41:41 2020

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