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Chlorine in PDB 2yil: Crystal Structure of Parasite Sarcocystis Muris Lectin Sml-2

Protein crystallography data

The structure of Crystal Structure of Parasite Sarcocystis Muris Lectin Sml-2, PDB code: 2yil was solved by J.J.Mueller, M.S.Weiss, U.Heinemann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.44 / 1.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 53.170, 129.040, 158.100, 90.00, 90.00, 90.00
R / Rfree (%) 16.8 / 19.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Parasite Sarcocystis Muris Lectin Sml-2 (pdb code 2yil). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Parasite Sarcocystis Muris Lectin Sml-2, PDB code: 2yil:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 2yil

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Chlorine binding site 1 out of 7 in the Crystal Structure of Parasite Sarcocystis Muris Lectin Sml-2


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 Parasite Sarcocystis Muris Lectin Sml-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1135

b:62.7
occ:1.00
 N A:THR67 3.6 30.4 1.0
OG1 A:THR67 3.9 32.3 1.0
CA A:TYR66 4.0 28.7 1.0
CB A:THR67 4.1 32.2 1.0
CB A:TYR66 4.2 29.4 1.0
C A:TYR66 4.2 29.7 1.0
CA A:THR67 4.5 30.7 1.0

Chlorine binding site 2 out of 7 in 2yil

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Chlorine binding site 2 out of 7 in the Crystal Structure of Parasite Sarcocystis Muris Lectin Sml-2


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 Parasite Sarcocystis Muris Lectin Sml-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1134

b:60.0
occ:1.00
 O B:HOH2072 3.6 26.1 1.0
N B:GLY116 3.7 24.9 1.0
CA B:PRO115 3.9 26.3 1.0
C B:PRO115 4.3 24.3 1.0
O B:HOH2074 4.5 31.6 1.0
CB B:PRO115 4.6 27.8 1.0
O B:THR114 4.7 22.3 1.0
CA B:GLY116 4.7 25.4 1.0
O B:HOH2073 4.9 37.0 1.0
N B:PRO115 5.0 26.3 1.0

Chlorine binding site 3 out of 7 in 2yil

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Chlorine binding site 3 out of 7 in the Crystal Structure of Parasite Sarcocystis Muris Lectin Sml-2


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 Parasite Sarcocystis Muris Lectin Sml-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1135

b:63.9
occ:1.00
 N C:THR67 3.7 30.3 1.0
OG1 C:THR67 3.8 35.2 1.0
CA C:TYR66 4.0 29.3 1.0
CB C:THR67 4.1 32.6 1.0
CB C:TYR66 4.2 29.2 1.0
C C:TYR66 4.3 29.2 1.0
CA C:THR67 4.5 31.0 1.0

Chlorine binding site 4 out of 7 in 2yil

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Chlorine binding site 4 out of 7 in the Crystal Structure of Parasite Sarcocystis Muris Lectin Sml-2


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 Parasite Sarcocystis Muris Lectin Sml-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1134

b:60.3
occ:1.00
 N D:THR67 3.4 31.6 1.0
O D:HOH2053 3.6 52.3 1.0
CB D:THR67 3.9 33.0 1.0
OG1 D:THR67 3.9 35.4 1.0
CA D:TYR66 4.0 30.1 1.0
CB D:TYR66 4.1 30.7 1.0
C D:TYR66 4.2 31.2 1.0
CA D:THR67 4.2 32.2 1.0
O D:THR67 4.8 31.7 1.0

Chlorine binding site 5 out of 7 in 2yil

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Chlorine binding site 5 out of 7 in the Crystal Structure of Parasite Sarcocystis Muris Lectin Sml-2


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 Parasite Sarcocystis Muris Lectin Sml-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1135

b:48.5
occ:1.00
 ND1 D:HIS27 3.2 32.4 1.0
N D:HIS27 3.4 24.5 1.0
CB D:HIS27 3.8 25.0 1.0
CG D:HIS27 3.9 27.7 1.0
CG2 D:VAL26 4.1 30.4 1.0
CA D:HIS27 4.2 24.3 1.0
CE1 D:HIS27 4.2 33.8 1.0
CA D:VAL26 4.3 27.4 1.0
C D:VAL26 4.4 25.9 1.0
CB D:VAL26 4.8 26.9 1.0
O D:HIS27 4.8 24.1 1.0

Chlorine binding site 6 out of 7 in 2yil

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Chlorine binding site 6 out of 7 in the Crystal Structure of Parasite Sarcocystis Muris Lectin Sml-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Parasite Sarcocystis Muris Lectin Sml-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl1134

b:60.9
occ:1.00
 N E:GLY116 3.6 29.9 1.0
CA E:PRO115 3.8 30.4 1.0
O E:HOH2102 3.9 32.9 1.0
O E:HOH2103 4.2 33.4 1.0
C E:PRO115 4.2 29.9 1.0
CB E:PRO115 4.5 31.7 1.0
O E:THR114 4.6 24.5 1.0
CA E:GLY116 4.6 30.4 1.0
N E:PRO115 4.9 28.6 1.0

Chlorine binding site 7 out of 7 in 2yil

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Chlorine binding site 7 out of 7 in the Crystal Structure of Parasite Sarcocystis Muris Lectin Sml-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Parasite Sarcocystis Muris Lectin Sml-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl1135

b:52.5
occ:1.00
 N F:GLY116 3.8 29.6 1.0
O F:HOH2087 3.9 31.4 1.0
CA F:PRO115 4.2 30.4 1.0
O F:HOH2088 4.4 34.5 1.0
C F:PRO115 4.5 28.1 1.0
O F:HOH2089 4.6 41.3 1.0
CA F:GLY116 4.8 30.9 1.0
O F:THR114 4.9 24.1 1.0
CB F:PRO115 4.9 31.0 1.0

Reference:

J.J.Mueller, M.S.Weiss, U.Heinemann. Pan-Modular Structure of Microneme Protein Sml-2 From Parasite Sarcocystis Muris at 1.95 A Resolution and Its Complex with 1-Thio-Beta-D-Galactose. Acta Crystallogr.,Sect.D V. D67 936 2011.
ISSN: ISSN 0907-4449
PubMed: 22101820
DOI: 10.1107/S0907444911037796
Page generated: Sat Jul 20 15:04:05 2024

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