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Chlorine in PDB 4baf: Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethyltriazoledipicolinate Complex at 1.51 A Resolution.

Enzymatic activity of Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethyltriazoledipicolinate Complex at 1.51 A Resolution.

All present enzymatic activity of Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethyltriazoledipicolinate Complex at 1.51 A Resolution.:
3.2.1.17;

Protein crystallography data

The structure of Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethyltriazoledipicolinate Complex at 1.51 A Resolution., PDB code: 4baf was solved by R.Talon, R.Kahn, A.Gautier, L.Nauton, E.Girard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.20 / 1.51
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 77.763, 77.763, 37.896, 90.00, 90.00, 90.00
R / Rfree (%) 15.6 / 17.9

Other elements in 4baf:

The structure of Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethyltriazoledipicolinate Complex at 1.51 A Resolution. also contains other interesting chemical elements:

Europium (Eu) 1 atom
Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethyltriazoledipicolinate Complex at 1.51 A Resolution. (pdb code 4baf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethyltriazoledipicolinate Complex at 1.51 A Resolution., PDB code: 4baf:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 4baf

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Chlorine binding site 1 out of 9 in the Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethyltriazoledipicolinate Complex at 1.51 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethyltriazoledipicolinate Complex at 1.51 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1134

b:14.9
occ:1.00
 OH A:TYR23 3.0 11.4 1.0
O A:HOH2035 3.2 31.5 1.0
O A:HOH2034 3.2 14.6 1.0
CZ A:TYR23 3.7 9.6 1.0
CE2 A:TYR23 3.7 10.4 1.0
CA A:GLY104 4.1 10.9 1.0
O A:ARG21 4.6 14.9 1.0
N A:GLY104 4.7 13.7 1.0
CE1 A:TYR23 4.9 10.4 1.0
CD2 A:TYR23 4.9 10.7 1.0
O A:HOH2016 5.0 33.5 1.0

Chlorine binding site 2 out of 9 in 4baf

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Chlorine binding site 2 out of 9 in the Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethyltriazoledipicolinate Complex at 1.51 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethyltriazoledipicolinate Complex at 1.51 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1135

b:17.3
occ:1.00
 OG A:SER24 3.0 16.6 1.0
N A:GLY26 3.1 11.8 1.0
O A:HOH2041 3.3 36.4 1.0
NA A:NA1141 3.3 50.6 1.0
CA A:GLY26 3.5 10.4 1.0
CB A:SER24 3.5 15.2 1.0
CA A:GLN121 3.6 15.9 1.0
CD1 A:ILE124 3.8 17.2 1.0
N A:GLN121 4.0 15.4 1.0
CB A:GLN121 4.0 21.2 1.0
N A:LEU25 4.1 11.7 1.0
CG2 A:VAL120 4.2 13.1 1.0
C A:SER24 4.2 12.2 1.0
CG A:GLN121 4.3 25.0 1.0
C A:LEU25 4.3 11.8 1.0
C A:VAL120 4.3 15.4 1.0
O A:VAL120 4.3 13.9 1.0
CG1 A:ILE124 4.3 20.3 1.0
CA A:SER24 4.5 13.2 1.0
C A:GLY26 4.5 10.6 1.0
CA A:LEU25 4.6 10.9 1.0
N A:ASN27 4.6 9.7 1.0
O A:SER24 4.7 13.1 1.0
C A:GLN121 4.9 16.8 1.0
CB A:LEU25 4.9 12.7 1.0
O A:HOH2042 5.0 30.2 1.0

Chlorine binding site 3 out of 9 in 4baf

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Chlorine binding site 3 out of 9 in the Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethyltriazoledipicolinate Complex at 1.51 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethyltriazoledipicolinate Complex at 1.51 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1136

b:32.6
occ:1.00
 NA A:NA1140 3.1 31.8 1.0
ND2 A:ASN65 3.2 19.8 1.0
CB A:PRO79 3.6 12.5 1.0
CA A:PRO79 3.7 13.4 1.0
CB A:ASN65 3.9 13.9 1.0
N A:PRO79 4.0 12.6 1.0
CG A:ASN65 4.0 16.3 1.0
O A:ASN65 4.2 11.5 1.0
CD A:PRO79 4.3 14.6 1.0
CG A:PRO79 4.4 15.0 1.0
C A:ILE78 4.6 15.7 1.0
O A:ILE78 4.7 15.2 1.0
C A:ASN65 4.9 12.4 1.0
CA A:ASN65 5.0 12.4 1.0
O A:HOH2088 5.0 14.1 1.0

Chlorine binding site 4 out of 9 in 4baf

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Chlorine binding site 4 out of 9 in the Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethyltriazoledipicolinate Complex at 1.51 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethyltriazoledipicolinate Complex at 1.51 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1137

b:22.9
occ:1.00
 O A:HOH2085 3.1 17.8 1.0
N A:THR69 3.3 17.6 1.0
O A:HOH2086 3.4 41.3 1.0
O A:THR69 3.4 18.0 1.0
N A:ARG68 3.5 19.5 1.0
CA A:GLY67 3.6 16.7 1.0
C A:GLY67 3.6 19.8 1.0
OD1 A:ASN65 3.6 21.0 1.0
C A:THR69 3.6 18.6 1.0
N A:GLY67 3.7 14.8 1.0
OG A:SER72 3.8 18.1 1.0
CA A:THR69 3.9 17.3 1.0
O A:HOH2087 4.0 17.7 1.0
O A:GLY67 4.2 22.1 1.0
CB A:THR69 4.3 16.7 1.0
OD1 A:ASP66 4.3 14.3 1.0
C A:ARG68 4.3 20.3 1.0
N A:PRO70 4.3 21.4 1.0
CA A:ARG68 4.4 18.8 0.5
CA A:ARG68 4.4 18.6 0.5
O A:HOH2083 4.7 8.0 1.0
C A:ASP66 4.8 15.1 1.0
CA A:PRO70 4.8 23.8 1.0
CG A:ASN65 4.8 16.3 1.0
OG1 A:THR69 4.9 13.3 1.0
N A:ASP66 4.9 13.2 1.0
O A:HOH2090 5.0 34.6 1.0

Chlorine binding site 5 out of 9 in 4baf

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Chlorine binding site 5 out of 9 in the Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethyltriazoledipicolinate Complex at 1.51 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethyltriazoledipicolinate Complex at 1.51 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1138

b:21.2
occ:0.90
 O A:HOH2012 2.5 30.2 1.0
N A:GLU7 3.2 14.7 1.0
C8 A:IKX1132 3.2 18.2 0.5
N A:CYS6 3.3 13.8 1.0
CA A:GLY4 3.5 12.9 1.0
C A:GLY4 3.5 11.1 1.0
C11 A:IKX1132 3.7 19.6 0.5
N A:ARG5 3.7 13.1 1.0
CB A:CYS6 3.7 16.4 1.0
CB A:GLU7 3.8 15.5 1.0
C9 A:IKX1132 3.8 15.5 0.5
C5 A:IKX1132 3.8 10.0 0.5
CA A:CYS6 3.8 14.9 1.0
N2 A:IKX1132 3.9 10.5 0.5
C A:CYS6 4.0 12.7 1.0
O A:GLY4 4.0 11.3 1.0
CA A:GLU7 4.0 13.9 1.0
C10 A:IKX1132 4.1 21.4 0.5
C A:ARG5 4.2 14.0 1.0
C4 A:IKX1132 4.3 10.2 0.5
O3 A:IKX1132 4.5 16.7 0.5
N A:GLY4 4.5 14.2 1.0
CA A:ARG5 4.5 12.7 1.0
N4 A:IKX1132 4.8 21.4 0.5
SG A:CYS6 4.8 19.0 1.0
N3 A:IKX1132 4.8 15.2 0.5
O5 A:IKX1132 4.9 26.4 0.5
C6 A:IKX1132 4.9 9.9 0.5

Chlorine binding site 6 out of 9 in 4baf

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Chlorine binding site 6 out of 9 in the Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethyltriazoledipicolinate Complex at 1.51 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethyltriazoledipicolinate Complex at 1.51 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1139

b:36.6
occ:0.90
 CD A:ARG68 2.9 20.1 0.5
NH1 A:ARG68 3.3 18.6 0.5
CD A:ARG68 3.7 19.3 0.5
NE A:ARG68 3.7 28.2 0.5
CG A:ARG68 3.7 19.2 0.5
NE A:ARG68 3.9 27.5 0.5
CZ A:ARG68 4.0 22.6 0.5
CZ A:ARG68 4.7 23.7 0.5
CG A:ARG68 4.8 17.9 0.5
CB A:ARG68 4.9 19.0 0.5

Chlorine binding site 7 out of 9 in 4baf

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Chlorine binding site 7 out of 9 in the Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethyltriazoledipicolinate Complex at 1.51 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethyltriazoledipicolinate Complex at 1.51 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1142

b:29.0
occ:1.00
 O A:HOH2021 3.1 29.2 1.0
N A:ILE88 3.3 13.2 1.0
O A:HOH2003 3.5 29.9 1.0
CG1 A:ILE88 3.6 13.4 1.0
CA A:ASP87 3.8 16.2 1.0
O A:SER86 4.0 18.3 1.0
C A:ASP87 4.0 14.9 1.0
NH2 A:ARG14 4.1 26.9 1.0
CZ A:PHE3 4.1 13.3 1.0
OD1 A:ASP87 4.1 17.0 1.0
CB A:ALA11 4.1 13.7 1.0
CB A:ILE88 4.2 11.8 1.0
CG2 A:ILE88 4.3 14.4 1.0
CA A:ILE88 4.3 12.6 1.0
NE2 A:HIS15 4.3 21.5 1.0
CE2 A:PHE3 4.5 13.8 1.0
CD1 A:ILE88 4.6 15.0 1.0
CG A:ASP87 4.7 21.3 1.0
CB A:ASP87 4.8 17.2 1.0
N A:ASP87 4.8 13.9 1.0
CD2 A:HIS15 4.8 17.6 1.0
C A:SER86 4.9 14.8 1.0

Chlorine binding site 8 out of 9 in 4baf

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Chlorine binding site 8 out of 9 in the Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethyltriazoledipicolinate Complex at 1.51 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethyltriazoledipicolinate Complex at 1.51 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1143

b:40.4
occ:1.00
 ND2 A:ASN59 2.7 19.6 0.5
CH3 A:ACT1133 2.8 22.6 1.0
NE1 A:TRP63 2.9 13.4 1.0
O A:HOH2120 3.3 35.9 1.0
O A:ACT1133 3.6 30.7 1.0
C A:ACT1133 3.7 27.3 1.0
CG A:ASN59 3.9 17.6 0.5
CD1 A:TRP63 3.9 11.9 1.0
CE2 A:TRP63 3.9 14.7 1.0
CD1 A:TRP62 3.9 20.4 1.0
CZ2 A:TRP63 4.2 14.0 1.0
OD1 A:ASN59 4.3 20.9 0.5
CG A:TRP62 4.6 19.7 1.0
NE1 A:TRP62 4.7 24.4 1.0
CB A:ASN59 4.7 13.8 0.5
CB A:TRP62 4.8 15.4 1.0
OXT A:ACT1133 4.8 28.3 1.0
O A:ALA107 4.9 13.2 1.0
CB A:ALA107 5.0 13.3 1.0

Chlorine binding site 9 out of 9 in 4baf

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Chlorine binding site 9 out of 9 in the Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethyltriazoledipicolinate Complex at 1.51 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethyltriazoledipicolinate Complex at 1.51 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1144

b:44.3
occ:1.00
 N A:ASN74 3.1 16.5 1.0
NE A:ARG73 3.4 36.1 1.0
CZ A:ARG73 3.5 38.5 1.0
NH2 A:ARG73 3.7 36.0 1.0
CB A:ARG73 3.8 20.0 1.0
C A:ASN74 3.8 14.7 1.0
CA A:ARG73 3.9 20.3 1.0
O A:ASN74 3.9 15.6 1.0
CA A:ASN74 3.9 13.9 1.0
C A:ARG73 3.9 18.5 1.0
CD A:ARG73 4.0 30.2 1.0
CB A:ASN74 4.2 14.3 1.0
CD2 A:LEU75 4.3 20.0 1.0
NH1 A:ARG73 4.3 36.6 1.0
N A:LEU75 4.4 15.2 1.0
CG A:ARG73 4.5 24.6 1.0
O A:HOH2039 4.8 41.2 1.0
CA A:LEU75 4.8 15.3 1.0
CG A:LEU75 5.0 19.5 1.0

Reference:

R.Talon, L.Nauton, J.-L.Canet, R.Kahn, E.Girard, A.Gautier. Clicked Europium Dipicolinate Complexes For Protein X-Ray Structure Determination. Chem.Commun.(Camb.) V. 48 11886 2012.
ISSN: ISSN 1359-7345
PubMed: 23123834
DOI: 10.1039/C2CC36982F
Page generated: Sun Jul 21 09:52:48 2024

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