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Chlorine in PDB 4lbm: Crystal Structure of Human Galectin-3 Crd in Complex with Lnt

Protein crystallography data

The structure of Crystal Structure of Human Galectin-3 Crd in Complex with Lnt, PDB code: 4lbm was solved by P.M.Collins, H.Blanchard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.91 / 1.55
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 36.664, 58.131, 63.612, 90.00, 90.00, 90.00
R / Rfree (%) 14.7 / 17.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Galectin-3 Crd in Complex with Lnt (pdb code 4lbm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Human Galectin-3 Crd in Complex with Lnt, PDB code: 4lbm:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 4lbm

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Chlorine binding site 1 out of 5 in the Crystal Structure of Human Galectin-3 Crd in Complex with Lnt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Galectin-3 Crd in Complex with Lnt within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:26.0
occ:0.90
 CE1 A:HIS208 2.7 14.1 0.3
NE2 A:HIS208 3.0 14.1 0.3
ND1 A:HIS208 3.1 12.9 0.3
N A:ASP207 3.2 11.4 1.0
CD2 A:HIS208 3.2 13.2 0.7
CB A:GLU205 3.4 12.0 0.5
CB A:GLU205 3.5 13.3 0.5
CD2 A:HIS208 3.6 14.2 0.3
CG A:HIS208 3.6 12.7 0.3
CB A:ASP207 3.6 12.3 1.0
N A:HIS208 3.7 9.7 0.7
OE1 A:GLU205 3.7 29.1 0.5
CA A:ASP207 3.7 10.8 1.0
N A:HIS208 3.8 10.1 0.3
N A:PRO206 3.9 12.2 1.0
CD A:PRO206 4.0 14.4 1.0
C A:ASP207 4.0 10.2 1.0
CG A:HIS208 4.1 12.6 0.7
C A:GLU205 4.2 11.8 1.0
NE2 A:HIS208 4.3 18.7 0.7
C A:PRO206 4.3 12.4 1.0
CB A:HIS208 4.4 10.9 0.7
CG A:GLU205 4.4 13.8 0.5
CA A:GLU205 4.5 11.3 0.5
CD A:GLU205 4.5 23.7 0.5
CA A:GLU205 4.5 11.7 0.5
CG A:ASP207 4.5 16.5 1.0
CA A:PRO206 4.5 12.9 1.0
OD2 A:ASP207 4.5 20.7 1.0
CG A:GLU205 4.6 17.4 0.5
CA A:HIS208 4.6 9.3 0.7
CB A:HIS208 4.7 11.2 0.3
CB A:PRO206 4.7 14.1 1.0
O A:HIS208 4.7 9.1 0.3
CA A:HIS208 4.7 9.7 0.3
NZ A:LYS210 4.8 29.2 0.5
O A:GLU205 4.8 11.8 1.0
CG A:PRO206 4.9 14.7 1.0
O A:HIS208 4.9 10.0 0.7
O A:ASP207 5.0 11.4 1.0

Chlorine binding site 2 out of 5 in 4lbm

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Chlorine binding site 2 out of 5 in the Crystal Structure of Human Galectin-3 Crd in Complex with Lnt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human Galectin-3 Crd in Complex with Lnt within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:49.5
occ:1.00
 NE1 A:TRP181 3.2 19.6 1.0
O A:HOH449 3.2 46.9 1.0
NZ A:LYS176 3.8 33.7 1.0
C1 A:NAG303 3.8 19.0 0.9
CE2 A:TRP181 4.0 16.6 1.0
CZ2 A:TRP181 4.1 16.6 1.0
C5 A:NAG303 4.2 17.6 0.9
CD1 A:TRP181 4.2 19.7 1.0
C3 A:NAG303 4.2 25.6 0.9
CD A:LYS176 4.3 23.0 1.0
C2 A:NAG303 4.4 24.0 0.9
O5 A:NAG303 4.4 16.2 0.9
N2 A:NAG303 4.5 31.1 0.9
C3 A:GAL302 4.7 16.4 0.9
CE A:LYS176 4.7 29.1 1.0
C4 A:NAG303 4.7 24.1 0.9
O3 A:GAL302 4.7 18.4 0.9
O4 A:NAG303 5.0 24.5 0.9

Chlorine binding site 3 out of 5 in 4lbm

Go back to Chlorine Binding Sites List in 4lbm
Chlorine binding site 3 out of 5 in the Crystal Structure of Human Galectin-3 Crd in Complex with Lnt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human Galectin-3 Crd in Complex with Lnt within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:24.4
occ:1.00
 O A:HOH511 2.7 42.6 1.0
O A:HOH425 3.0 24.3 1.0
N A:LYS226 3.1 11.5 1.0
O A:HOH423 3.3 30.4 1.0
N A:LYS227 3.6 10.9 1.0
CG A:LYS227 3.9 16.0 1.0
CA A:LYS226 4.0 11.4 1.0
C A:VAL225 4.0 9.7 1.0
CG1 A:VAL225 4.0 13.1 1.0
CA A:VAL225 4.0 9.8 1.0
CD A:LYS227 4.1 22.1 1.0
CB A:LYS226 4.2 14.6 1.0
C A:LYS226 4.2 11.6 1.0
CB A:LYS227 4.2 13.5 1.0
CA A:LYS227 4.5 11.7 1.0
O A:HOH474 4.6 36.0 1.0
CB A:VAL225 4.6 9.8 1.0
CE A:LYS227 4.6 23.5 1.0
NH1 A:ARG151 4.6 18.4 1.0
CZ A:ARG151 4.8 16.1 1.0
CG A:LYS226 4.8 19.4 1.0
O A:HOH414 4.8 20.2 1.0
O A:ARG224 4.9 13.4 1.0
O A:HOH483 4.9 36.3 1.0

Chlorine binding site 4 out of 5 in 4lbm

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Chlorine binding site 4 out of 5 in the Crystal Structure of Human Galectin-3 Crd in Complex with Lnt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human Galectin-3 Crd in Complex with Lnt within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl308

b:28.6
occ:0.70
 N A:SER194 3.2 14.8 1.0
NH1 A:ARG169 3.3 35.4 1.0
OG A:SER194 3.5 28.4 1.0
CD2 A:PHE163 3.8 17.6 1.0
CA A:GLU193 3.8 14.9 1.0
CB A:SER194 3.9 22.6 1.0
CG A:GLU193 3.9 25.7 1.0
C A:GLU193 4.0 13.8 1.0
CD A:ARG169 4.1 25.9 1.0
CA A:SER194 4.1 14.6 1.0
CE2 A:PHE163 4.1 16.6 1.0
O A:HOH453 4.2 39.5 1.0
CZ A:ARG169 4.4 34.1 1.0
CB A:GLU193 4.4 16.9 1.0
O A:PHE192 4.6 15.5 1.0
NE A:ARG169 4.7 24.4 1.0
N A:GLU193 4.9 13.3 1.0
CG A:PHE163 5.0 15.5 1.0

Chlorine binding site 5 out of 5 in 4lbm

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Chlorine binding site 5 out of 5 in the Crystal Structure of Human Galectin-3 Crd in Complex with Lnt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Human Galectin-3 Crd in Complex with Lnt within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl309

b:25.0
occ:0.80
 OG A:SER232 2.8 16.8 0.5
N A:GLY152 3.1 10.0 1.0
O A:HOH441 3.3 38.7 1.0
O A:GLN150 3.4 11.2 1.0
N A:SER232 3.7 8.8 1.0
CB A:SER232 3.8 10.2 0.5
CA A:ARG151 3.9 9.8 1.0
O A:GLU230 3.9 10.8 1.0
CA A:GLY152 3.9 10.9 1.0
C A:GLN150 3.9 10.0 1.0
C A:ARG151 4.0 10.3 1.0
CG A:LYS233 4.0 17.2 0.5
N A:LYS233 4.0 9.2 0.5
CB A:SER232 4.0 12.0 0.5
N A:LYS233 4.1 9.5 0.5
CA A:SER232 4.1 9.2 0.5
CA A:SER232 4.1 9.8 0.5
C A:SER232 4.1 9.7 1.0
CB A:LYS233 4.2 14.6 0.5
CE A:LYS233 4.2 26.6 0.5
N A:ARG151 4.3 8.5 1.0
CB A:LYS233 4.4 12.9 0.5
CD A:LYS233 4.4 21.7 0.5
CB A:GLN150 4.5 10.2 0.5
OG A:SER232 4.5 11.6 0.5
NZ A:LYS233 4.6 29.9 0.5
O A:GLY152 4.6 13.7 1.0
CB A:GLN150 4.7 13.4 0.5
CA A:LYS233 4.8 11.5 0.5
O A:SER232 4.8 10.6 1.0
C A:GLY152 4.8 11.1 1.0
CA A:LYS233 4.8 10.7 0.5
CA A:GLN150 4.9 8.8 0.5
C A:ILE231 4.9 8.9 1.0
CA A:GLN150 4.9 9.4 0.5

Reference:

P.M.Collins, K.Bum-Erdene, X.Yu, H.Blanchard. Galectin-3 Interactions with Glycosphingolipids. J.Mol.Biol. V. 426 1439 2014.
ISSN: ISSN 0022-2836
PubMed: 24326249
DOI: 10.1016/J.JMB.2013.12.004
Page generated: Sun Jul 21 18:49:01 2024

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