Chlorine in PDB 7uel: Genetic and Structural Basis For the Human Anti-Alpha-Galactosyl Antibody Response

Protein crystallography data

The structure of Genetic and Structural Basis For the Human Anti-Alpha-Galactosyl Antibody Response, PDB code: 7uel was solved by D.B.Langley, D.Christ, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.68 / 1.90
Space group I 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 73.54, 71.37, 95.821, 90, 104.94, 90
R / Rfree (%) 16.9 / 21.6

Other elements in 7uel:

The structure of Genetic and Structural Basis For the Human Anti-Alpha-Galactosyl Antibody Response also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Genetic and Structural Basis For the Human Anti-Alpha-Galactosyl Antibody Response (pdb code 7uel). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Genetic and Structural Basis For the Human Anti-Alpha-Galactosyl Antibody Response, PDB code: 7uel:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 7uel

Go back to Chlorine Binding Sites List in 7uel
Chlorine binding site 1 out of 6 in the Genetic and Structural Basis For the Human Anti-Alpha-Galactosyl Antibody Response


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Genetic and Structural Basis For the Human Anti-Alpha-Galactosyl Antibody Response within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl301

b:68.2
occ:1.00
 OD2 H:ASP101 3.0 41.5 1.0
NH1 H:ARG96 3.2 40.1 1.0
O H:HOH461 3.5 47.1 1.0
CD H:ARG96 3.8 40.6 1.0
CG H:ASP101 3.9 38.5 1.0
CB H:ASP101 4.0 33.9 1.0
NH2 H:ARG94 4.2 40.2 1.0
CZ H:ARG96 4.3 43.0 1.0
O L:HOH520 4.4 39.4 1.0
NE H:ARG96 4.5 44.1 1.0
CB H:ARG96 4.6 41.6 1.0
CG H:ARG96 4.7 41.5 1.0
CZ L:TYR49 4.7 41.6 1.0
OH L:TYR49 4.7 39.1 1.0
CE1 L:TYR49 4.9 39.2 1.0

Chlorine binding site 2 out of 6 in 7uel

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Chlorine binding site 2 out of 6 in the Genetic and Structural Basis For the Human Anti-Alpha-Galactosyl Antibody Response


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Genetic and Structural Basis For the Human Anti-Alpha-Galactosyl Antibody Response within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl302

b:54.9
occ:1.00
 O H:HOH523 2.9 37.9 1.0
N H:THR165 3.0 19.9 1.0
CA H:HIS164 3.6 21.8 1.0
C H:HIS164 3.8 22.4 1.0
O H:HOH470 3.9 33.4 1.0
O H:VAL163 4.0 29.5 1.0
O H:THR165 4.0 21.7 1.0
CA H:THR165 4.0 19.6 1.0
CB H:THR165 4.0 19.4 1.0
ND1 H:HIS164 4.1 23.7 1.0
O H:HOH416 4.3 30.2 1.0
OG1 H:THR165 4.4 19.9 1.0
N H:HIS164 4.4 23.1 1.0
CG H:HIS164 4.4 22.6 1.0
C H:THR165 4.4 24.9 1.0
C H:VAL163 4.5 29.1 1.0
CB H:HIS164 4.6 24.2 1.0
CE1 H:HIS164 4.6 23.4 1.0
CG1 H:VAL163 4.8 22.8 1.0
O H:HIS164 5.0 20.1 1.0

Chlorine binding site 3 out of 6 in 7uel

Go back to Chlorine Binding Sites List in 7uel
Chlorine binding site 3 out of 6 in the Genetic and Structural Basis For the Human Anti-Alpha-Galactosyl Antibody Response


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Genetic and Structural Basis For the Human Anti-Alpha-Galactosyl Antibody Response within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl303

b:67.0
occ:1.00
 N H:ARG71 3.3 55.2 1.0
O H:ARG71 3.5 58.7 1.0
NZ H:LYS57 3.7 69.4 1.0
O H:HOH445 3.7 55.2 1.0
CA H:SER70 3.7 59.1 1.0
CE H:LYS57 3.7 67.4 1.0
CD1 H:ILE51 3.7 56.7 1.0
CB H:SER70 3.7 58.4 1.0
O H:HOH471 3.8 56.7 1.0
C H:SER70 4.0 57.7 1.0
CG H:ARG71 4.3 54.7 1.0
CA H:ARG71 4.3 53.5 1.0
C H:ARG71 4.3 57.3 1.0
CA H:GLY54 4.4 62.2 1.0
O H:GLY54 4.5 66.2 1.0
CB H:ARG71 4.8 52.3 1.0
O H:ILE69 4.9 59.4 1.0
CG1 H:ILE51 5.0 55.3 1.0
C H:GLY54 5.0 65.1 1.0
N H:SER70 5.0 54.0 1.0

Chlorine binding site 4 out of 6 in 7uel

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Chlorine binding site 4 out of 6 in the Genetic and Structural Basis For the Human Anti-Alpha-Galactosyl Antibody Response


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Genetic and Structural Basis For the Human Anti-Alpha-Galactosyl Antibody Response within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl302

b:29.7
occ:1.00
 NE2 L:GLN108 3.1 16.0 1.0
O L:HOH424 3.3 18.9 1.0
O L:HOH462 3.4 48.6 1.0
O L:HOH569 3.6 35.1 1.0
C L:GLY107 3.6 22.4 1.0
CA L:GLY107 3.7 21.0 1.0
O L:HOH488 3.8 48.2 1.0
OH L:TYR140 3.8 17.8 1.0
O L:GLY107 3.9 23.1 1.0
CG L:GLN108 3.9 19.9 1.0
CE1 L:TYR140 4.0 14.3 1.0
CD L:GLN108 4.0 21.2 1.0
N L:GLN108 4.0 17.9 1.0
N L:GLY107 4.1 19.8 1.0
CZ L:TYR140 4.1 18.2 1.0
CB L:GLN108 4.2 18.3 1.0
MG L:MG305 4.6 27.3 1.0
CA L:GLN108 4.7 18.5 1.0
NZ L:LYS166 4.7 57.4 1.0
O L:HOH564 4.8 35.1 1.0
CD1 L:TYR140 4.9 18.1 1.0

Chlorine binding site 5 out of 6 in 7uel

Go back to Chlorine Binding Sites List in 7uel
Chlorine binding site 5 out of 6 in the Genetic and Structural Basis For the Human Anti-Alpha-Galactosyl Antibody Response


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Genetic and Structural Basis For the Human Anti-Alpha-Galactosyl Antibody Response within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl303

b:56.9
occ:1.00
 N L:ASN169 3.5 27.3 1.0
OG L:SER168 3.6 38.6 1.0
O H:HOH443 3.6 47.9 1.0
CG L:ASN169 3.6 24.3 1.0
CB L:ASN169 3.8 26.9 1.0
ND2 L:ASN169 3.9 25.0 1.0
CB L:GLN167 3.9 18.9 1.0
N L:SER168 3.9 25.4 1.0
OD1 L:ASN169 3.9 24.6 1.0
NE2 L:GLN167 4.0 23.7 1.0
O H:HOH470 4.0 33.4 1.0
CA L:ASN169 4.2 26.5 1.0
C L:SER168 4.3 30.3 1.0
O L:HOH459 4.4 44.9 1.0
CA L:SER168 4.5 33.3 1.0
O L:HOH454 4.5 46.6 1.0
CA H:GLY162 4.5 35.2 1.0
CB L:SER168 4.6 34.3 1.0
CD L:GLN167 4.7 23.4 1.0
C L:GLN167 4.7 27.1 1.0
CG L:GLN167 4.7 16.4 1.0
N H:GLY162 4.8 33.1 1.0
CA L:GLN167 4.8 20.2 1.0
O H:VAL163 4.9 29.5 1.0

Chlorine binding site 6 out of 6 in 7uel

Go back to Chlorine Binding Sites List in 7uel
Chlorine binding site 6 out of 6 in the Genetic and Structural Basis For the Human Anti-Alpha-Galactosyl Antibody Response


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Genetic and Structural Basis For the Human Anti-Alpha-Galactosyl Antibody Response within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl304

b:75.0
occ:1.00
 O L:HOH438 3.2 40.6 1.0
O L:HOH468 3.4 27.0 1.0
O L:GLN108 4.1 20.5 1.0
C L:GLN108 4.3 20.5 1.0
N L:GLN108 4.5 17.9 1.0
N L:PRO109 4.6 21.4 1.0
CA L:GLN108 4.6 18.5 1.0
CA L:PRO109 4.8 21.6 1.0
C L:GLY107 4.9 22.4 1.0
CB L:LEU106A 5.0 20.1 1.0
OG L:SER14 5.0 29.8 1.0

Reference:

D.B.Langley, P.Schofield, D.Nevoltris, J.Jackson, K.J.L.Jackson, T.J.Peters, M.Burk, J.M.Matthews, A.Basten, C.C.Goodnow, S.Van Nunen, J.H.Reed, D.Christ. Genetic and Structural Basis of the Human Anti-Alpha-Galactosyl Antibody Response. Proc.Natl.Acad.Sci.Usa V. 119 12119 2022.
ISSN: ESSN 1091-6490
PubMed: 35867757
DOI: 10.1073/PNAS.2123212119
Page generated: Tue Jul 30 05:00:59 2024

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