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Chlorine in PDB 4bap: Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethylcholinetriazoledipicolinate Complex at 1.21 A Resolution.

Enzymatic activity of Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethylcholinetriazoledipicolinate Complex at 1.21 A Resolution.

All present enzymatic activity of Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethylcholinetriazoledipicolinate Complex at 1.21 A Resolution.:
3.2.1.17;

Protein crystallography data

The structure of Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethylcholinetriazoledipicolinate Complex at 1.21 A Resolution., PDB code: 4bap 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) 38.76 / 1.21
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 77.509, 77.509, 38.482, 90.00, 90.00, 90.00
R / Rfree (%) 15.8 / 17.8

Other elements in 4bap:

The structure of Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethylcholinetriazoledipicolinate Complex at 1.21 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- Hydroxyethylcholinetriazoledipicolinate Complex at 1.21 A Resolution. (pdb code 4bap). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethylcholinetriazoledipicolinate Complex at 1.21 A Resolution., PDB code: 4bap:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 4bap

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Chlorine binding site 1 out of 8 in the Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethylcholinetriazoledipicolinate Complex at 1.21 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- Hydroxyethylcholinetriazoledipicolinate Complex at 1.21 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1134

b:14.3
occ:1.00
 O A:HOH2042 3.0 31.4 1.0
OG A:SER24 3.1 12.5 1.0
N A:GLY26 3.1 8.9 1.0
CB A:SER24 3.5 12.2 1.0
CA A:GLY26 3.5 9.1 1.0
CA A:GLN121 3.6 12.9 0.2
CA A:GLN121 3.6 13.4 0.8
CB A:GLN121 3.8 14.2 0.2
CB A:GLN121 3.9 17.0 0.8
N A:GLN121 4.0 13.2 1.0
CG A:GLN121 4.0 18.2 0.2
CD1 A:ILE124 4.1 24.6 1.0
N A:LEU25 4.1 9.3 1.0
CG A:GLN121 4.2 24.3 0.8
C A:LEU25 4.3 8.6 1.0
C A:SER24 4.3 9.6 1.0
CG2 A:VAL120 4.3 14.2 1.0
C A:VAL120 4.3 11.6 1.0
O A:VAL120 4.4 11.3 1.0
CA A:SER24 4.5 9.3 1.0
CG1 A:ILE124 4.5 16.4 1.0
CD A:GLN121 4.6 16.0 0.2
C A:GLY26 4.6 7.8 1.0
CA A:LEU25 4.6 9.2 1.0
OE1 A:GLN121 4.6 25.8 0.2
N A:ASN27 4.7 7.7 1.0
O A:SER24 4.8 9.1 1.0
C A:GLN121 4.8 13.2 1.0
CB A:LEU25 4.9 10.1 1.0
O A:HOH2043 5.0 22.6 1.0

Chlorine binding site 2 out of 8 in 4bap

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Chlorine binding site 2 out of 8 in the Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethylcholinetriazoledipicolinate Complex at 1.21 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- Hydroxyethylcholinetriazoledipicolinate Complex at 1.21 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1135

b:20.8
occ:1.00
 O A:HOH2081 3.1 12.6 1.0
N A:THR69 3.2 12.9 1.0
O A:THR69 3.3 14.9 1.0
O A:HOH2082 3.5 38.4 1.0
N A:ARG68 3.5 14.8 1.0
OD1 A:ASN65 3.5 16.9 1.0
C A:THR69 3.5 15.3 1.0
C A:GLY67 3.6 15.4 1.0
CA A:GLY67 3.6 14.5 1.0
N A:GLY67 3.6 11.3 1.0
CA A:THR69 3.8 14.8 1.0
OG A:SER72 3.9 14.7 1.0
O A:HOH2083 4.0 16.9 1.0
N A:PRO70 4.2 18.0 1.0
CB A:THR69 4.2 11.9 1.0
C A:ARG68 4.2 16.6 1.0
OD1 A:ASP66 4.2 9.5 1.0
O A:GLY67 4.2 18.5 1.0
CA A:ARG68 4.3 17.3 0.5
CA A:ARG68 4.4 14.2 0.5
CA A:PRO70 4.6 18.9 1.0
C A:ASP66 4.7 11.6 1.0
CG A:ASN65 4.7 14.2 1.0
NA A:NA1143 4.7 13.5 1.0
N A:ASP66 4.8 10.0 1.0
OG1 A:THR69 4.8 10.8 1.0
O A:HOH2087 5.0 28.3 1.0

Chlorine binding site 3 out of 8 in 4bap

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Chlorine binding site 3 out of 8 in the Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethylcholinetriazoledipicolinate Complex at 1.21 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- Hydroxyethylcholinetriazoledipicolinate Complex at 1.21 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1136

b:18.4
occ:0.80
 O A:HOH2031 2.9 23.2 1.0
O A:HOH2043 2.9 22.6 1.0
N A:SER24 2.9 10.0 1.0
O A:GLY22 3.1 11.0 1.0
ND2 A:ASN27 3.3 10.2 1.0
OG A:SER24 3.3 12.5 1.0
O A:HOH2046 3.4 17.0 1.0
CB A:SER24 3.4 12.2 1.0
CA A:TYR23 3.7 9.2 1.0
CA A:SER24 3.8 9.3 1.0
C A:TYR23 3.8 8.4 1.0
C A:GLY22 4.1 9.4 1.0
N A:TYR23 4.4 8.8 1.0
CG A:ASN27 4.5 8.6 1.0
OD1 A:ASN19 4.7 16.9 0.5
CB A:TYR23 4.9 8.0 1.0
C A:SER24 4.9 9.6 1.0
O A:TYR23 5.0 9.5 1.0

Chlorine binding site 4 out of 8 in 4bap

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Chlorine binding site 4 out of 8 in the Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethylcholinetriazoledipicolinate Complex at 1.21 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- Hydroxyethylcholinetriazoledipicolinate Complex at 1.21 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1137

b:23.5
occ:0.90
 O A:HOH2024 2.6 29.9 1.0
N A:ILE88 3.3 10.2 1.0
O A:HOH2008 3.5 24.3 1.0
CG1 A:ILE88 3.7 12.0 1.0
CA A:ASP87 3.9 12.6 1.0
O A:SER86 3.9 16.2 1.0
CZ A:PHE3 4.0 12.2 1.0
NH2 A:ARG14 4.0 19.7 1.0
C A:ASP87 4.1 12.0 1.0
CB A:ALA11 4.2 10.5 1.0
CG2 A:ILE88 4.2 13.0 1.0
OD1 A:ASP87 4.2 15.7 1.0
CB A:ILE88 4.2 10.1 1.0
CA A:ILE88 4.3 9.9 1.0
NE2 A:HIS15 4.4 15.8 1.0
CE2 A:PHE3 4.5 10.5 1.0
CD1 A:ILE88 4.5 13.2 1.0
CG A:ASP87 4.7 17.1 1.0
C A:SER86 4.8 13.9 1.0
N A:ASP87 4.8 11.5 1.0
CB A:ASP87 4.8 13.8 1.0
CD2 A:HIS15 4.9 15.4 1.0

Chlorine binding site 5 out of 8 in 4bap

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Chlorine binding site 5 out of 8 in the Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethylcholinetriazoledipicolinate Complex at 1.21 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- Hydroxyethylcholinetriazoledipicolinate Complex at 1.21 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1138

b:26.3
occ:0.70
 NH1 A:ARG68 2.8 14.4 0.5
NH1 A:ARG68 2.8 9.8 0.5
CD A:ARG68 3.4 10.1 0.5
CD A:ARG68 3.8 12.9 0.5
CZ A:ARG68 3.9 9.1 0.5
CZ A:ARG68 3.9 14.2 0.5
NE A:ARG68 4.1 9.6 0.5
NE A:ARG68 4.2 14.9 0.5
CG A:ARG68 4.7 13.9 0.5
CB A:ARG68 4.8 13.6 0.5
CG A:ARG68 4.8 14.6 0.5
CB A:ARG68 4.8 16.9 0.5
NH1 A:ARG45 4.9 17.9 0.5

Chlorine binding site 6 out of 8 in 4bap

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Chlorine binding site 6 out of 8 in the Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethylcholinetriazoledipicolinate Complex at 1.21 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- Hydroxyethylcholinetriazoledipicolinate Complex at 1.21 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1139

b:23.7
occ:0.90
 O A:HOH2127 2.8 16.5 1.0
OD1 A:ASN27 2.8 8.6 1.0
O A:HOH2046 3.2 17.0 1.0
N A:GLY117 3.4 13.2 1.0
CZ2 A:TRP111 3.6 8.9 1.0
CA A:LYS116 3.6 9.8 1.0
CG A:ASN27 3.8 8.6 1.0
O A:CYS115 4.0 8.8 1.0
C A:LYS116 4.0 10.5 1.0
ND2 A:ASN27 4.1 10.2 1.0
CE2 A:TRP111 4.2 8.1 1.0
NE1 A:TRP111 4.3 8.4 1.0
CG1 A:VAL120 4.3 13.0 1.0
N A:LYS116 4.4 8.9 1.0
C A:CYS115 4.5 8.6 1.0
CH2 A:TRP111 4.5 9.8 1.0
CA A:GLY117 4.5 17.3 1.0
CB A:LYS116 4.6 9.8 1.0
CG A:LYS116 4.6 10.6 1.0
CG2 A:VAL120 4.8 14.2 1.0
N A:THR118 4.9 13.1 1.0
O A:THR118 4.9 12.5 1.0

Chlorine binding site 7 out of 8 in 4bap

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Chlorine binding site 7 out of 8 in the Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethylcholinetriazoledipicolinate Complex at 1.21 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- Hydroxyethylcholinetriazoledipicolinate Complex at 1.21 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1140

b:33.2
occ:0.95
 ND2 A:ASN74 3.1 13.2 1.0
O A:HOH2085 3.1 16.3 1.0
C A:ILE78 3.3 11.6 1.0
N A:PRO79 3.5 10.8 1.0
CA A:ILE78 3.6 11.9 1.0
N A:ILE78 3.6 11.9 1.0
O A:ILE78 3.7 11.4 1.0
C A:ASN77 3.9 13.8 1.0
CD A:PRO79 4.0 11.9 1.0
O A:ASN77 4.1 14.0 1.0
CG A:ASN74 4.2 10.8 1.0
CA A:PRO79 4.3 11.2 1.0
OD1 A:ASN77 4.3 21.9 1.0
CB A:ASN65 4.4 12.0 1.0
OD1 A:ASN74 4.5 11.6 1.0
O A:HOH2092 4.6 28.4 1.0
CA A:ASN77 4.7 11.3 1.0
CB A:PRO79 4.9 10.8 1.0
CG A:PRO79 4.9 17.7 1.0

Chlorine binding site 8 out of 8 in 4bap

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Chlorine binding site 8 out of 8 in the Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxyethylcholinetriazoledipicolinate Complex at 1.21 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- Hydroxyethylcholinetriazoledipicolinate Complex at 1.21 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1141

b:13.5
occ:1.00
 OH A:TYR23 3.0 9.1 1.0
O A:HOH2036 3.2 27.7 1.0
O A:HOH2035 3.3 12.6 1.0
CZ A:TYR23 3.7 8.2 1.0
CE2 A:TYR23 3.7 8.5 1.0
CA A:GLY104 4.2 10.7 1.0
O A:ARG21 4.6 11.9 1.0
O A:HOH2017 4.8 28.6 1.0
N A:GLY104 4.8 11.1 1.0
CE1 A:TYR23 4.9 8.6 1.0
CD2 A:TYR23 4.9 7.8 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 09:53:08 2024

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