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Chlorine in PDB 2vq5: X-Ray Structure of Norcoclaurine Synthase From Thalictrum Flavum in Complex with Dopamine and Hydroxybenzaldehyde

Enzymatic activity of X-Ray Structure of Norcoclaurine Synthase From Thalictrum Flavum in Complex with Dopamine and Hydroxybenzaldehyde

All present enzymatic activity of X-Ray Structure of Norcoclaurine Synthase From Thalictrum Flavum in Complex with Dopamine and Hydroxybenzaldehyde:
4.2.1.78;

Protein crystallography data

The structure of X-Ray Structure of Norcoclaurine Synthase From Thalictrum Flavum in Complex with Dopamine and Hydroxybenzaldehyde, PDB code: 2vq5 was solved by A.Ilari, S.Franceschini, A.Bonamore, A.Boffi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.09
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 86.474, 86.474, 117.977, 90.00, 90.00, 120.00
R / Rfree (%) 22.086 / 26.605

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of Norcoclaurine Synthase From Thalictrum Flavum in Complex with Dopamine and Hydroxybenzaldehyde (pdb code 2vq5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the X-Ray Structure of Norcoclaurine Synthase From Thalictrum Flavum in Complex with Dopamine and Hydroxybenzaldehyde, PDB code: 2vq5:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 2vq5

Go back to Chlorine Binding Sites List in 2vq5
Chlorine binding site 1 out of 5 in the X-Ray Structure of Norcoclaurine Synthase From Thalictrum Flavum in Complex with Dopamine and Hydroxybenzaldehyde


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Norcoclaurine Synthase From Thalictrum Flavum in Complex with Dopamine and Hydroxybenzaldehyde within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1200

b:40.4
occ:1.00
 O A:HOH2062 2.6 38.4 1.0
N A:HIS106 3.2 31.6 1.0
N A:GLU107 3.5 27.3 1.0
O A:GLU107 3.6 25.0 1.0
O A:HOH2048 3.7 32.1 1.0
N A:GLY130 3.9 26.2 1.0
CA A:PRO105 3.9 34.9 1.0
CA A:GLY130 3.9 26.4 1.0
CE1 A:PHE104 4.0 37.2 1.0
CA A:HIS106 4.0 29.9 1.0
CB A:HIS106 4.0 30.0 1.0
C A:PRO105 4.1 33.5 1.0
C A:HIS106 4.3 28.7 1.0
O B:HOH2050 4.4 33.2 1.0
C A:GLU107 4.4 25.4 1.0
CA A:GLU107 4.5 26.4 1.0
CD1 A:PHE104 4.5 36.9 1.0
CZ A:PHE104 4.5 37.3 1.0
CB A:PRO105 4.5 35.5 1.0
O A:GLY130 4.7 26.6 1.0
CL B:CL1195 4.7 35.5 1.0
C A:GLY130 4.8 26.9 1.0

Chlorine binding site 2 out of 5 in 2vq5

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Chlorine binding site 2 out of 5 in the X-Ray Structure of Norcoclaurine Synthase From Thalictrum Flavum in Complex with Dopamine and Hydroxybenzaldehyde


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of Norcoclaurine Synthase From Thalictrum Flavum in Complex with Dopamine and Hydroxybenzaldehyde within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1201

b:77.3
occ:1.00
 NH2 A:ARG120 2.9 44.9 1.0
CG A:PRO147 4.0 34.6 1.0
CZ A:ARG120 4.1 42.4 1.0
NH1 A:ARG120 4.6 43.4 1.0
CD A:PRO147 4.8 33.4 1.0
CB A:PRO147 5.0 34.8 1.0

Chlorine binding site 3 out of 5 in 2vq5

Go back to Chlorine Binding Sites List in 2vq5
Chlorine binding site 3 out of 5 in the X-Ray Structure of Norcoclaurine Synthase From Thalictrum Flavum in Complex with Dopamine and Hydroxybenzaldehyde


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of Norcoclaurine Synthase From Thalictrum Flavum in Complex with Dopamine and Hydroxybenzaldehyde within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1202

b:67.8
occ:1.00
 ND1 A:HIS144 3.4 30.4 1.0
CD A:LYS156 3.8 31.4 1.0
NZ A:LYS156 3.9 39.4 1.0
CE1 A:HIS144 4.1 29.3 1.0
CE A:LYS156 4.4 35.9 1.0
CG A:HIS144 4.5 29.4 1.0
CB A:HIS144 4.8 28.2 1.0

Chlorine binding site 4 out of 5 in 2vq5

Go back to Chlorine Binding Sites List in 2vq5
Chlorine binding site 4 out of 5 in the X-Ray Structure of Norcoclaurine Synthase From Thalictrum Flavum in Complex with Dopamine and Hydroxybenzaldehyde


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Structure of Norcoclaurine Synthase From Thalictrum Flavum in Complex with Dopamine and Hydroxybenzaldehyde within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1195

b:35.5
occ:1.00
 O B:HOH2050 2.7 33.2 1.0
N B:HIS106 3.2 27.1 1.0
O B:HOH2033 3.4 38.1 1.0
O B:GLU107 3.4 26.2 1.0
N B:GLU107 3.5 27.0 1.0
N B:GLY130 3.7 26.3 1.0
CA B:GLY130 3.8 26.2 1.0
CA B:PRO105 3.9 28.8 1.0
CE1 B:PHE104 4.0 32.2 1.0
CA B:HIS106 4.0 26.4 1.0
CB B:HIS106 4.0 26.3 1.0
C B:PRO105 4.1 27.9 1.0
C B:GLU107 4.3 26.3 1.0
CZ B:PHE104 4.3 32.4 1.0
C B:HIS106 4.3 26.7 1.0
CB B:PRO105 4.3 29.3 1.0
CA B:GLU107 4.4 27.6 1.0
O A:HOH2062 4.6 38.4 1.0
CD1 B:PHE104 4.6 31.2 1.0
O B:GLY130 4.6 26.7 1.0
C B:GLY130 4.7 26.7 1.0
CL A:CL1200 4.7 40.4 1.0
C B:GLY129 4.9 26.7 1.0

Chlorine binding site 5 out of 5 in 2vq5

Go back to Chlorine Binding Sites List in 2vq5
Chlorine binding site 5 out of 5 in the X-Ray Structure of Norcoclaurine Synthase From Thalictrum Flavum in Complex with Dopamine and Hydroxybenzaldehyde


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of X-Ray Structure of Norcoclaurine Synthase From Thalictrum Flavum in Complex with Dopamine and Hydroxybenzaldehyde within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1196

b:81.7
occ:1.00
 CZ2 B:TRP65 3.7 39.6 1.0
CE B:LYS70 3.8 40.2 1.0
NE2 B:HIS71 3.9 38.4 1.0
CD B:LYS70 3.9 37.7 1.0
NZ B:LYS70 4.0 41.8 1.0
CA B:GLY67 4.1 35.3 1.0
CD2 B:HIS71 4.4 36.9 1.0
CH2 B:TRP65 4.4 38.9 1.0
CG B:LYS70 4.5 37.3 1.0
CE2 B:TRP65 4.5 38.6 1.0
O B:GLY67 4.6 35.4 1.0
NE1 B:TRP65 4.8 38.2 1.0
C B:GLY67 4.8 35.1 1.0

Reference:

A.Ilari, S.Franceschini, A.Bonamore, F.Arenghi, B.Botta, A.Macone, A.Pasquo, L.Bellucci, A.Boffi. Structural Basis of Enzymatic S-Norcoclaurine Biosynthesis. J.Biol.Chem. V. 284 897 2009.
ISSN: ISSN 0021-9258
PubMed: 19004827
DOI: 10.1074/JBC.M803738200
Page generated: Sat Dec 12 09:21:16 2020

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