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Chlorine in PDB 1h87: Gadolinium Derivative of Tetragonal Hen Egg-White Lysozyme at 1.7 A Resolution

Enzymatic activity of Gadolinium Derivative of Tetragonal Hen Egg-White Lysozyme at 1.7 A Resolution

All present enzymatic activity of Gadolinium Derivative of Tetragonal Hen Egg-White Lysozyme at 1.7 A Resolution:
3.2.1.17;

Protein crystallography data

The structure of Gadolinium Derivative of Tetragonal Hen Egg-White Lysozyme at 1.7 A Resolution, PDB code: 1h87 was solved by E.Girard, L.Chantalat, J.Vicat, R.Kahn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.33 / 1.72
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 77.250, 77.250, 38.660, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 21

Other elements in 1h87:

The structure of Gadolinium Derivative of Tetragonal Hen Egg-White Lysozyme at 1.7 A Resolution also contains other interesting chemical elements:

Gadolinium (Gd) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Gadolinium Derivative of Tetragonal Hen Egg-White Lysozyme at 1.7 A Resolution (pdb code 1h87). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Gadolinium Derivative of Tetragonal Hen Egg-White Lysozyme at 1.7 A Resolution, PDB code: 1h87:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 1h87

Go back to Chlorine Binding Sites List in 1h87
Chlorine binding site 1 out of 4 in the Gadolinium Derivative of Tetragonal Hen Egg-White Lysozyme at 1.7 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Gadolinium Derivative of Tetragonal Hen Egg-White Lysozyme at 1.7 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl286

b:13.8
occ:1.00
 OH A:TYR23 3.1 9.1 1.0
O A:HOH2027 3.3 11.8 1.0
O A:HOH2028 3.3 32.5 1.0
CE2 A:TYR23 3.8 9.5 1.0
CZ A:TYR23 3.8 9.0 1.0
CA A:GLY104 4.1 12.2 1.0
N A:GLY104 4.6 12.8 1.0
O A:ARG21 4.6 11.8 1.0
O A:HOH2123 5.0 16.1 1.0
CE1 A:TYR23 5.0 9.0 1.0
CD2 A:TYR23 5.0 9.9 1.0

Chlorine binding site 2 out of 4 in 1h87

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Chlorine binding site 2 out of 4 in the Gadolinium Derivative of Tetragonal Hen Egg-White Lysozyme at 1.7 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Gadolinium Derivative of Tetragonal Hen Egg-White Lysozyme at 1.7 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl287

b:14.4
occ:1.00
 OG A:SER24 3.1 11.2 1.0
N A:GLY26 3.2 9.6 1.0
O A:HOH2010 3.3 22.8 1.0
CB A:SER24 3.5 10.9 1.0
CA A:GLN121 3.5 13.1 1.0
CA A:GLY26 3.6 9.5 1.0
CD1 A:ILE124 3.9 17.1 1.0
N A:GLN121 3.9 13.2 1.0
CB A:GLN121 4.0 13.4 1.0
CG A:GLN121 4.2 13.7 1.0
C A:VAL120 4.2 13.1 1.0
N A:LEU25 4.2 10.0 1.0
O A:VAL120 4.2 13.1 1.0
CG2 A:VAL120 4.2 13.7 1.0
CG1 A:ILE124 4.4 16.0 1.0
C A:LEU25 4.4 9.7 1.0
C A:SER24 4.4 10.3 1.0
CA A:SER24 4.6 10.4 1.0
C A:GLY26 4.6 9.5 1.0
CA A:LEU25 4.7 9.8 1.0
N A:ASN27 4.7 9.5 1.0
C A:GLN121 4.8 13.2 1.0
O A:SER24 4.9 10.2 1.0
CB A:VAL120 4.9 13.1 1.0
O A:HOH2023 5.0 14.3 1.0
O A:HOH2035 5.0 22.9 1.0

Chlorine binding site 3 out of 4 in 1h87

Go back to Chlorine Binding Sites List in 1h87
Chlorine binding site 3 out of 4 in the Gadolinium Derivative of Tetragonal Hen Egg-White Lysozyme at 1.7 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Gadolinium Derivative of Tetragonal Hen Egg-White Lysozyme at 1.7 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl288

b:23.3
occ:1.00
 O A:HOH2084 3.2 14.4 1.0
N A:THR69 3.4 15.4 1.0
O A:THR69 3.5 16.0 1.0
O A:HOH2082 3.5 37.0 1.0
ND2 A:ASN65 3.6 14.7 1.0
C A:GLY67 3.6 14.4 1.0
N A:ARG68 3.6 14.6 1.0
CA A:GLY67 3.6 14.1 1.0
C A:THR69 3.6 16.1 1.0
N A:GLY67 3.7 13.8 1.0
OG A:SER72 3.8 17.0 1.0
CA A:THR69 4.0 15.7 1.0
N A:PRO70 4.2 16.4 1.0
O A:GLY67 4.2 14.6 1.0
O A:HOH2081 4.2 17.7 1.0
C A:ARG68 4.3 15.2 1.0
CB A:THR69 4.3 15.5 1.0
CA A:ARG68 4.4 15.0 1.0
OD1 A:ASP66 4.4 11.2 1.0
CA A:PRO70 4.6 16.8 1.0
O A:HOH2077 4.8 9.8 1.0
C A:ASP66 4.8 13.4 1.0
N A:ASP66 4.9 12.9 1.0
CG A:ASN65 4.9 13.8 1.0
OG1 A:THR69 4.9 14.7 1.0

Chlorine binding site 4 out of 4 in 1h87

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Chlorine binding site 4 out of 4 in the Gadolinium Derivative of Tetragonal Hen Egg-White Lysozyme at 1.7 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Gadolinium Derivative of Tetragonal Hen Egg-White Lysozyme at 1.7 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl289

b:29.6
occ:1.00
 N A:ILE88 3.4 13.4 1.0
O A:HOH2019 3.5 34.5 1.0
O A:HOH2108 3.6 23.8 1.0
NH2 A:ARG14 3.7 18.2 1.0
CG1 A:ILE88 3.7 13.2 1.0
CA A:ASP87 4.0 13.7 1.0
NE2 A:HIS15 4.0 16.4 1.0
OD1 A:ASP87 4.1 16.8 1.0
C A:ASP87 4.2 13.6 1.0
O A:SER86 4.3 13.7 1.0
CB A:ALA11 4.3 11.9 1.0
CZ A:PHE3 4.4 14.2 1.0
CA A:ILE88 4.4 13.2 1.0
CG A:ASP87 4.4 16.2 1.0
CB A:ILE88 4.4 12.9 1.0
CG2 A:ILE88 4.6 13.1 1.0
CD2 A:HIS15 4.6 15.5 1.0
CD1 A:ILE88 4.7 13.4 1.0
CB A:ASP87 4.8 14.6 1.0
CE2 A:PHE3 4.8 13.8 1.0
CZ A:ARG14 4.9 17.9 1.0
N A:THR89 4.9 12.9 1.0
N A:ASP87 5.0 13.7 1.0

Reference:

E.Girard, L.Chantalat, J.Vicat, R.Kahn. Gd-Hp-DO3A, A Complex to Obtain High-Phasing-Power Heavy Atom Derivatives For Sad and Mad Experiments. Results with Tetragonal Hen Egg-White Lysozyme Acta Crystallogr.,Sect.D V. 58 1 2001.
ISSN: ISSN 0907-4449
PubMed: 11752774
DOI: 10.1107/S0907444901016444
Page generated: Fri Jul 19 22:26:10 2024

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