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

Protein crystallography data

The structure of Genomic and Structural Basis For the Human Anti-Alpha-Galactosyl Antibody Response, PDB code: 7uem 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) 42.97 / 2.31
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 86.937, 65.931, 151.513, 90, 90.91, 90
R / Rfree (%) 18.9 / 23.1

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Chlorine atom in the Genomic and Structural Basis For the Human Anti-Alpha-Galactosyl Antibody Response (pdb code 7uem). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 15 binding sites of Chlorine where determined in the Genomic and Structural Basis For the Human Anti-Alpha-Galactosyl Antibody Response, PDB code: 7uem:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 15 in 7uem

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Chlorine binding site 1 out of 15 in the Genomic 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 Genomic and Structural Basis For the Human Anti-Alpha-Galactosyl Antibody Response within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:56.9
occ:1.00
 N C:THR109 3.4 30.8 1.0
OG1 C:THR109 3.5 32.1 1.0
CB C:ARG108 3.5 27.8 1.0
CG2 C:THR109 3.5 33.5 1.0
CB C:THR109 4.0 32.1 1.0
CA C:ARG108 4.0 28.7 1.0
NE C:ARG108 4.1 24.0 1.0
C C:ARG108 4.2 29.5 1.0
CA C:THR109 4.3 31.3 1.0
CZ C:ARG108 4.3 23.3 1.0
NH2 C:ARG108 4.5 22.2 1.0
CD C:ARG108 4.6 24.7 1.0
CG C:ARG108 4.7 26.4 1.0
O C:HOH410 4.8 37.7 1.0
NH1 C:ARG108 4.9 23.5 1.0

Chlorine binding site 2 out of 15 in 7uem

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Chlorine binding site 2 out of 15 in the Genomic 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 Genomic and Structural Basis For the Human Anti-Alpha-Galactosyl Antibody Response within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:41.3
occ:1.00
 O C:HOH455 3.1 38.3 1.0
CD C:LYS207 3.6 34.2 1.0
NZ C:LYS207 3.8 36.6 1.0
CE C:LYS207 3.9 35.9 1.0
CG C:LYS207 5.0 35.7 1.0

Chlorine binding site 3 out of 15 in 7uem

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Chlorine binding site 3 out of 15 in the Genomic 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 Genomic and Structural Basis For the Human Anti-Alpha-Galactosyl Antibody Response within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl303

b:42.2
occ:1.00
 O C:HOH486 2.9 35.3 1.0
NZ C:LYS107 3.0 31.2 1.0
CE C:LYS107 4.0 29.7 1.0
CD C:LYS107 4.2 29.3 1.0

Chlorine binding site 4 out of 15 in 7uem

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Chlorine binding site 4 out of 15 in the Genomic 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 Genomic and Structural Basis For the Human Anti-Alpha-Galactosyl Antibody Response within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl301

b:61.8
occ:1.00
 N D:LEU11 3.3 32.1 1.0
CA D:PRO202 3.5 37.1 1.0
CB D:PRO202 3.6 36.8 1.0
CA D:GLY10 3.8 34.4 1.0
O D:PRO202 3.9 38.1 1.0
C D:GLY10 4.1 33.1 1.0
CB D:LEU11 4.2 28.7 1.0
C D:PRO202 4.2 38.2 1.0
O D:LEU11 4.2 31.3 1.0
CA D:LEU11 4.2 30.5 1.0
CG D:PRO202 4.3 36.5 1.0
N D:PRO202 4.7 37.1 1.0
C D:LEU11 4.7 31.1 1.0
O D:GLY9 4.8 36.8 1.0

Chlorine binding site 5 out of 15 in 7uem

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Chlorine binding site 5 out of 15 in the Genomic 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 Genomic and Structural Basis For the Human Anti-Alpha-Galactosyl Antibody Response within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:32.9
occ:1.00
 OH D:TYR145 3.1 23.2 1.0
N D:VAL150 3.2 31.1 1.0
CA D:PRO149 3.4 32.4 1.0
C D:PRO149 3.8 31.4 1.0
OE1 D:GLU148 3.8 52.8 1.0
CB D:ALA168 3.8 30.6 1.0
CB D:GLU148 3.8 43.2 1.0
CG D:GLU148 4.0 47.2 1.0
CD2 D:LEU178 4.0 33.8 1.0
CB D:PRO149 4.0 31.7 1.0
CZ D:TYR145 4.0 23.4 1.0
CE1 D:TYR145 4.0 24.5 1.0
O D:VAL150 4.1 30.1 1.0
CA D:GLU148 4.2 36.8 1.0
CG2 D:VAL150 4.2 31.8 1.0
CD D:GLU148 4.3 49.5 1.0
CA D:VAL150 4.4 32.4 1.0
N D:PRO149 4.6 33.8 1.0
C D:VAL150 4.7 32.2 1.0
CB D:VAL150 4.8 31.4 1.0
O D:HOH447 4.9 24.2 1.0
C D:GLU148 5.0 34.8 1.0
O D:PRO149 5.0 29.6 1.0
CA D:ALA168 5.0 29.9 1.0

Chlorine binding site 6 out of 15 in 7uem

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Chlorine binding site 6 out of 15 in the Genomic 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 Genomic and Structural Basis For the Human Anti-Alpha-Galactosyl Antibody Response within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl303

b:29.9
occ:1.00
 OG D:SER113 2.9 27.1 1.0
N D:SER113 3.3 28.2 1.0
CB D:SER113 3.6 28.8 1.0
CA D:SER112 4.1 28.3 1.0
CA D:SER113 4.1 29.0 1.0
CG D:PRO14 4.1 30.8 1.0
C D:SER112 4.1 29.1 1.0
CD D:PRO14 4.4 31.4 1.0
OG D:SER112 4.7 28.5 1.0
CB D:SER112 4.8 27.2 1.0

Chlorine binding site 7 out of 15 in 7uem

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Chlorine binding site 7 out of 15 in the Genomic 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 7 of Genomic and Structural Basis For the Human Anti-Alpha-Galactosyl Antibody Response within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl304

b:51.0
occ:1.00
 N D:SER161 3.2 37.0 1.0
N D:THR160 3.2 38.2 1.0
CB D:SER161 3.6 35.8 1.0
O D:ALA158 3.7 38.3 1.0
CD1 D:LEU159 3.8 36.1 1.0
OG1 D:THR160 3.8 38.5 1.0
CA D:LEU159 3.9 37.3 1.0
CA D:SER161 4.0 35.8 1.0
C D:LEU159 4.1 37.7 1.0
C D:THR160 4.1 36.6 1.0
CA D:THR160 4.1 37.5 1.0
O D:HOH403 4.4 49.3 1.0
CB D:THR160 4.6 38.3 1.0
C D:ALA158 4.7 39.5 1.0
N D:LEU159 4.8 37.8 1.0
CB D:LEU159 4.8 36.5 1.0
CG D:LEU159 4.9 36.0 1.0
OG D:SER161 4.9 36.2 1.0
O D:SER161 4.9 35.7 1.0

Chlorine binding site 8 out of 15 in 7uem

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Chlorine binding site 8 out of 15 in the Genomic 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 8 of Genomic 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:48.2
occ:1.00
 NZ H:LYS57 3.3 40.7 1.0
N H:ARG71 3.4 38.7 1.0
CA H:SER70 3.7 39.2 1.0
CE H:LYS57 3.8 41.3 1.0
CD1 H:ILE51 3.8 38.4 1.0
CB H:SER70 3.9 39.8 1.0
O H:ARG71 3.9 41.6 1.0
C H:SER70 4.1 38.7 1.0
CG H:ARG71 4.2 35.5 1.0
CA H:ARG71 4.5 38.7 1.0
C H:ARG71 4.6 41.4 1.0
O H:ILE69 4.7 40.3 1.0
CB H:ARG71 4.9 36.6 1.0
CA H:GLY54 4.9 48.2 1.0
N H:SER70 5.0 38.7 1.0

Chlorine binding site 9 out of 15 in 7uem

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Chlorine binding site 9 out of 15 in the Genomic 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 9 of Genomic 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:36.7
occ:1.00
 OH H:TYR145 3.1 26.9 1.0
N H:VAL150 3.4 33.4 1.0
CA H:PRO149 3.5 33.9 1.0
CB H:ALA168 3.7 37.0 1.0
CB H:PRO149 3.8 33.4 1.0
CG H:GLU148 3.9 46.1 1.0
C H:PRO149 4.0 33.7 1.0
CZ H:TYR145 4.0 27.6 1.0
CE1 H:TYR145 4.0 27.6 1.0
O H:VAL150 4.0 33.1 1.0
CB H:GLU148 4.0 42.9 1.0
CD2 H:LEU178 4.1 31.1 1.0
OE1 H:GLU148 4.1 51.3 1.0
CD H:GLU148 4.3 48.8 1.0
CG2 H:VAL150 4.3 32.9 1.0
CA H:GLU148 4.4 37.5 1.0
CA H:VAL150 4.5 33.7 1.0
N H:PRO149 4.7 34.4 1.0
C H:VAL150 4.7 33.2 1.0
CA H:ALA168 4.9 36.7 1.0
N H:ALA168 4.9 36.1 1.0
CB H:VAL150 4.9 33.4 1.0

Chlorine binding site 10 out of 15 in 7uem

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Chlorine binding site 10 out of 15 in the Genomic 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 10 of Genomic 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:64.6
occ:1.00
 N H:LYS210 3.3 40.2 1.0
O H:ASP208 3.7 41.9 1.0
CE H:LYS209 3.7 48.3 1.0
CD H:LYS209 3.7 47.7 1.0
CA H:LYS209 3.8 42.2 1.0
CB H:LYS210 4.1 43.9 1.0
C H:LYS209 4.1 40.4 1.0
CA H:LYS210 4.2 40.2 1.0
C H:ASP208 4.6 40.9 1.0
O H:LYS210 4.6 35.0 1.0
CG H:LYS209 4.6 46.4 1.0
CB H:LYS209 4.7 44.3 1.0
N H:LYS209 4.7 41.3 1.0
C H:LYS210 5.0 36.4 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 05:01:10 2024

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