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Chlorine in PDB 4bad: Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxymethyltriazoledipicolinate Complex at 1.35 A Resolution.

Enzymatic activity of Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxymethyltriazoledipicolinate Complex at 1.35 A Resolution.

All present enzymatic activity of Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxymethyltriazoledipicolinate Complex at 1.35 A Resolution.:
3.2.1.17;

Protein crystallography data

The structure of Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxymethyltriazoledipicolinate Complex at 1.35 A Resolution., PDB code: 4bad 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) 18.77 / 1.35
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 77.403, 77.403, 38.473, 90.00, 90.00, 90.00
R / Rfree (%) 15.2 / 17.2

Other elements in 4bad:

The structure of Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxymethyltriazoledipicolinate Complex at 1.35 A Resolution. also contains other interesting chemical elements:

Europium (Eu) 2 atoms
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- Hydroxymethyltriazoledipicolinate Complex at 1.35 A Resolution. (pdb code 4bad). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxymethyltriazoledipicolinate Complex at 1.35 A Resolution., PDB code: 4bad:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4bad

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Chlorine binding site 1 out of 6 in the Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxymethyltriazoledipicolinate Complex at 1.35 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- Hydroxymethyltriazoledipicolinate Complex at 1.35 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1133

b:12.1
occ:1.00
 OH A:TYR23 3.0 8.5 1.0
O A:HOH2037 3.2 24.6 1.0
O A:HOH2036 3.3 13.1 1.0
CE2 A:TYR23 3.6 7.6 1.0
CZ A:TYR23 3.7 7.7 1.0
CA A:GLY104 4.1 9.0 1.0
O A:ARG21 4.5 12.6 1.0
N A:GLY104 4.7 10.5 1.0
CE1 A:TYR23 4.9 7.8 1.0
CD2 A:TYR23 4.9 8.0 1.0

Chlorine binding site 2 out of 6 in 4bad

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Chlorine binding site 2 out of 6 in the Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxymethyltriazoledipicolinate Complex at 1.35 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- Hydroxymethyltriazoledipicolinate Complex at 1.35 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1134

b:14.5
occ:1.00
 O A:HOH2043 3.0 33.6 1.0
OG A:SER24 3.1 14.2 1.0
N A:GLY26 3.1 8.4 1.0
NA A:NA1140 3.3 35.1 1.0
CB A:SER24 3.5 11.9 1.0
CA A:GLY26 3.5 8.9 1.0
CA A:GLN121 3.6 12.5 1.0
CB A:GLN121 3.9 17.5 1.0
N A:GLN121 3.9 12.9 1.0
CD1 A:ILE124 4.0 23.0 1.0
N A:LEU25 4.1 9.6 1.0
C A:VAL120 4.3 11.2 1.0
C A:SER24 4.3 9.9 1.0
CG A:GLN121 4.3 25.6 1.0
C A:LEU25 4.3 8.9 1.0
CG2 A:VAL120 4.3 14.1 1.0
O A:VAL120 4.4 11.4 1.0
CG1 A:ILE124 4.4 16.6 1.0
CA A:SER24 4.5 10.2 1.0
C A:GLY26 4.6 7.5 1.0
CA A:LEU25 4.6 9.2 1.0
N A:ASN27 4.7 8.1 1.0
O A:SER24 4.7 9.8 1.0
C A:GLN121 4.9 13.1 1.0
O A:HOH2044 4.9 25.9 1.0
CB A:LEU25 4.9 10.2 1.0

Chlorine binding site 3 out of 6 in 4bad

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Chlorine binding site 3 out of 6 in the Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxymethyltriazoledipicolinate Complex at 1.35 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- Hydroxymethyltriazoledipicolinate Complex at 1.35 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1135

b:29.9
occ:1.00
 NA A:NA1139 3.1 27.7 1.0
ND2 A:ASN65 3.2 19.4 1.0
CB A:PRO79 3.6 12.1 1.0
CA A:PRO79 3.7 10.9 1.0
CB A:ASN65 3.9 11.9 1.0
N A:PRO79 3.9 11.2 1.0
CG A:ASN65 4.0 14.9 1.0
CD A:PRO79 4.3 14.1 1.0
O A:ASN65 4.3 9.2 1.0
CG A:PRO79 4.3 17.3 1.0
C A:ILE78 4.6 11.2 1.0
O A:ILE78 4.8 11.1 1.0
C A:ASN65 4.9 9.4 1.0
O A:HOH2096 4.9 15.5 1.0
CA A:ASN65 5.0 10.5 1.0

Chlorine binding site 4 out of 6 in 4bad

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Chlorine binding site 4 out of 6 in the Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxymethyltriazoledipicolinate Complex at 1.35 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- Hydroxymethyltriazoledipicolinate Complex at 1.35 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1136

b:23.2
occ:1.00
 O A:HOH2091 3.1 15.1 1.0
O A:HOH2098 3.2 41.7 1.0
N A:THR69 3.2 13.3 1.0
O A:THR69 3.3 14.4 1.0
N A:ARG68 3.5 14.7 1.0
O A:HOH2095 3.5 34.2 1.0
C A:THR69 3.5 14.9 1.0
C A:GLY67 3.6 17.1 1.0
OD1 A:ASN65 3.6 18.2 1.0
CA A:GLY67 3.6 14.1 1.0
N A:GLY67 3.6 12.0 1.0
OG A:SER72 3.8 15.8 1.0
CA A:THR69 3.9 13.6 1.0
O A:HOH2094 4.1 18.9 1.0
CB A:THR69 4.2 12.4 1.0
C A:ARG68 4.2 17.1 1.0
OD1 A:ASP66 4.2 10.2 1.0
O A:GLY67 4.2 18.9 1.0
N A:PRO70 4.3 18.3 1.0
CA A:ARG68 4.3 14.5 1.0
CA A:PRO70 4.6 20.6 1.0
C A:ASP66 4.7 12.6 1.0
O A:HOH2090 4.7 9.4 1.0
N A:ASP66 4.8 9.9 1.0
CG A:ASN65 4.8 14.9 1.0
OG1 A:THR69 4.8 11.3 1.0
O A:HOH2097 4.9 28.9 1.0

Chlorine binding site 5 out of 6 in 4bad

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Chlorine binding site 5 out of 6 in the Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxymethyltriazoledipicolinate Complex at 1.35 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- Hydroxymethyltriazoledipicolinate Complex at 1.35 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1137

b:18.1
occ:0.90
 O A:HOH2012 2.6 24.7 1.0
N A:GLU7 3.2 10.4 1.0
C8 A:HM61131 3.3 17.6 0.7
N A:CYS6 3.3 11.0 1.0
CA A:GLY4 3.5 10.2 1.0
C A:GLY4 3.5 10.0 1.0
N A:ARG5 3.7 10.5 1.0
CB A:CYS6 3.8 13.0 1.0
CB A:GLU7 3.8 11.9 1.0
CA A:CYS6 3.8 11.3 1.0
C3 A:HM61131 3.9 11.8 0.7
C9 A:HM61131 3.9 20.4 0.7
C A:CYS6 3.9 11.4 1.0
O A:GLY4 4.0 10.1 1.0
N2 A:HM61131 4.0 14.1 0.7
CA A:GLU7 4.1 11.3 1.0
C10 A:HM61131 4.2 25.4 0.7
C A:ARG5 4.2 9.8 1.0
C4 A:HM61131 4.4 13.2 0.7
N A:GLY4 4.5 11.0 1.0
CA A:ARG5 4.5 10.8 1.0
O2 A:HM61131 4.5 16.2 0.7
SG A:CYS6 4.8 15.2 1.0
N4 A:HM61131 4.9 19.0 0.7
N3 A:HM61131 4.9 16.6 0.7
C2 A:HM61131 4.9 12.4 0.7

Chlorine binding site 6 out of 6 in 4bad

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Chlorine binding site 6 out of 6 in the Hen Egg-White Lysozyme Structure in Complex with the Europium Tris- Hydroxymethyltriazoledipicolinate Complex at 1.35 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- Hydroxymethyltriazoledipicolinate Complex at 1.35 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1138

b:29.4
occ:0.90
 NH1 A:ARG68 3.0 15.3 1.0
CD A:ARG68 3.5 16.6 1.0
CZ A:ARG68 4.0 15.0 1.0
NE A:ARG68 4.2 16.1 1.0
NH2 A:ARG45 4.6 21.9 0.2
CG A:ARG68 4.8 16.1 1.0
NH1 A:ARG45 4.8 23.0 0.8
CB A:ARG68 4.8 15.4 1.0

Reference:

R.Talon, L.Nauton, J.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 09:52:13 2024

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