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Chlorine in PDB 2pnc: Crystal Structure of Bovine Plasma Copper-Containing Amine Oxidase in Complex with Clonidine

Enzymatic activity of Crystal Structure of Bovine Plasma Copper-Containing Amine Oxidase in Complex with Clonidine

All present enzymatic activity of Crystal Structure of Bovine Plasma Copper-Containing Amine Oxidase in Complex with Clonidine:
1.4.3.6;

Protein crystallography data

The structure of Crystal Structure of Bovine Plasma Copper-Containing Amine Oxidase in Complex with Clonidine, PDB code: 2pnc was solved by L.Cendron, A.Holt, D.J.Smith, G.Zanotti, A.Rigo, M.L.Di Paolo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.11 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 78.360, 131.956, 134.159, 90.00, 90.00, 90.00
R / Rfree (%) 23.7 / 25.2

Other elements in 2pnc:

The structure of Crystal Structure of Bovine Plasma Copper-Containing Amine Oxidase in Complex with Clonidine also contains other interesting chemical elements:

Copper (Cu) 2 atoms
Calcium (Ca) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Bovine Plasma Copper-Containing Amine Oxidase in Complex with Clonidine (pdb code 2pnc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Bovine Plasma Copper-Containing Amine Oxidase in Complex with Clonidine, PDB code: 2pnc:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 2pnc

Go back to Chlorine Binding Sites List in 2pnc
Chlorine binding site 1 out of 7 in the Crystal Structure of Bovine Plasma Copper-Containing Amine Oxidase in Complex with Clonidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Bovine Plasma Copper-Containing Amine Oxidase in Complex with Clonidine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl807

b:34.0
occ:1.00
 ND2 A:ASN481 3.1 19.3 1.0
O A:HOH1048 3.6 42.7 1.0
CD A:PRO706 3.7 11.7 1.0
CD A:ARG705 3.7 31.6 1.0
CB A:ARG705 3.8 14.6 1.0
CG A:ARG705 4.0 22.9 1.0
CG A:PRO706 4.0 8.5 1.0
CG1 B:VAL696 4.1 33.0 1.0
CG A:ASN481 4.3 22.1 1.0
CB A:ALA483 4.4 12.2 1.0
CA A:ARG705 4.4 16.2 1.0
O A:HOH995 4.5 30.7 1.0
CB B:VAL696 4.5 36.3 1.0
N A:PRO706 4.5 15.2 1.0
O A:PRO706 4.6 17.4 1.0
OD1 A:ASN481 4.8 32.4 1.0
C A:ARG705 4.9 17.8 1.0
CG2 B:VAL694 4.9 20.8 1.0
NH2 A:ARG705 5.0 65.4 1.0
NE A:ARG705 5.0 43.9 1.0

Chlorine binding site 2 out of 7 in 2pnc

Go back to Chlorine Binding Sites List in 2pnc
Chlorine binding site 2 out of 7 in the Crystal Structure of Bovine Plasma Copper-Containing Amine Oxidase in Complex with Clonidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Bovine Plasma Copper-Containing Amine Oxidase in Complex with Clonidine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl808

b:42.9
occ:1.00
 CL1 A:CLU808 0.0 42.9 1.0
CAL A:CLU808 1.8 42.1 1.0
CAD A:CLU808 2.8 42.9 1.0
CAN A:CLU808 2.8 41.0 1.0
NAJ A:CLU808 3.0 37.6 1.0
CAK A:CLU808 3.5 34.6 1.0
CG A:MET467 3.5 42.7 1.0
CB A:MET467 3.6 40.6 1.0
SD A:MET467 3.6 47.7 1.0
CE1 A:TYR472 3.7 25.7 1.0
CD1 A:TYR472 3.8 27.2 1.0
NAI A:CLU808 3.8 32.6 1.0
N A:MET467 3.9 27.3 1.0
CAM A:CLU808 4.1 42.7 1.0
CAC A:CLU808 4.1 41.0 1.0
O A:TPQ470 4.1 39.5 1.0
OD2 A:ASP385 4.2 28.1 1.0
CE A:MET467 4.3 39.5 1.0
CA A:MET467 4.3 39.7 1.0
NAH A:CLU808 4.4 30.4 1.0
CAE A:CLU808 4.6 41.1 1.0
CZ A:TYR472 4.6 26.6 1.0
C A:TPQ470 4.6 37.0 1.0
C A:THR466 4.6 21.3 1.0
CG A:TYR472 4.6 24.2 1.0
O A:SER465 4.7 23.5 1.0
O A:MET467 4.7 46.4 1.0
CG A:ASP385 4.8 24.5 1.0
CB A:TPQ470 4.8 37.0 1.0
CA A:THR466 4.9 18.7 1.0
N A:ASP471 4.9 33.9 1.0
CAG A:CLU808 4.9 31.9 1.0
C A:SER465 5.0 21.5 1.0
CAF A:CLU808 5.0 30.5 1.0

Chlorine binding site 3 out of 7 in 2pnc

Go back to Chlorine Binding Sites List in 2pnc
Chlorine binding site 3 out of 7 in the Crystal Structure of Bovine Plasma Copper-Containing Amine Oxidase in Complex with Clonidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Bovine Plasma Copper-Containing Amine Oxidase in Complex with Clonidine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl808

b:43.2
occ:1.00
 CL2 A:CLU808 0.0 43.2 1.0
CAM A:CLU808 1.8 42.7 1.0
CAN A:CLU808 2.8 41.0 1.0
CAE A:CLU808 2.8 41.1 1.0
NAJ A:CLU808 3.0 37.6 1.0
CB A:ALA369 3.5 13.0 1.0
CE1 A:HIS521 3.5 34.0 1.0
OH A:TYR472 3.5 23.5 1.0
C3 A:TPQ470 3.5 36.6 1.0
ND1 A:HIS521 3.7 34.5 1.0
O2 A:TPQ470 3.7 39.8 1.0
CAK A:CLU808 3.7 34.6 1.0
C2 A:TPQ470 3.7 35.1 1.0
OH A:TYR371 3.8 16.8 1.0
CAL A:CLU808 4.1 42.1 1.0
CAC A:CLU808 4.1 41.0 1.0
NAI A:CLU808 4.1 32.6 1.0
C4 A:TPQ470 4.3 35.5 1.0
CZ A:TYR472 4.4 26.6 1.0
CAD A:CLU808 4.6 42.9 1.0
NAH A:CLU808 4.6 30.4 1.0
CD2 A:TYR383 4.7 21.6 1.0
C1 A:TPQ470 4.7 37.7 1.0
CZ A:TYR371 4.7 13.5 1.0
CE1 A:TYR371 4.7 12.1 1.0
NE2 A:HIS521 4.8 36.6 1.0
O4 A:TPQ470 4.8 35.7 1.0
OD2 A:ASP385 4.8 28.1 1.0
CA A:ALA369 4.9 20.9 1.0

Chlorine binding site 4 out of 7 in 2pnc

Go back to Chlorine Binding Sites List in 2pnc
Chlorine binding site 4 out of 7 in the Crystal Structure of Bovine Plasma Copper-Containing Amine Oxidase in Complex with Clonidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Bovine Plasma Copper-Containing Amine Oxidase in Complex with Clonidine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl807

b:43.4
occ:1.00
 ND2 B:ASN481 3.2 19.2 1.0
NH1 B:ARG705 3.4 42.1 1.0
CZ B:ARG705 3.5 33.6 1.0
CG1 A:VAL696 3.7 46.5 1.0
NH2 B:ARG705 3.9 21.5 1.0
CG B:ARG705 3.9 25.0 1.0
CB B:ARG705 3.9 20.1 1.0
NE B:ARG705 4.0 30.9 1.0
CB B:ALA483 4.1 10.2 1.0
CB A:VAL696 4.1 56.9 1.0
CD B:PRO706 4.3 19.1 1.0
CG B:ASN481 4.4 17.5 1.0
CG B:PRO706 4.5 21.1 1.0
CD B:ARG705 4.5 24.3 1.0
CG2 A:VAL694 4.6 25.9 1.0
CA B:ARG705 4.6 17.4 1.0
O A:HOH964 4.9 17.8 1.0
OD1 B:ASN481 4.9 24.2 1.0
N B:PRO706 4.9 18.7 1.0
O A:VAL696 5.0 55.4 1.0
CG2 A:VAL696 5.0 57.5 1.0

Chlorine binding site 5 out of 7 in 2pnc

Go back to Chlorine Binding Sites List in 2pnc
Chlorine binding site 5 out of 7 in the Crystal Structure of Bovine Plasma Copper-Containing Amine Oxidase in Complex with Clonidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Bovine Plasma Copper-Containing Amine Oxidase in Complex with Clonidine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl808

b:27.6
occ:1.00
 OG B:SER618 3.1 14.1 1.0
NE B:ARG382 3.1 17.4 1.0
N A:GLN559 3.2 25.2 1.0
NH2 B:ARG382 3.3 9.7 1.0
CG1 A:ILE558 3.6 21.9 1.0
CZ B:ARG382 3.7 17.2 1.0
CB A:GLN559 3.7 22.0 1.0
O A:GLN559 3.8 18.8 1.0
CA A:GLN559 3.9 19.5 1.0
CE B:MET614 3.9 22.8 1.0
CB B:SER618 3.9 15.3 1.0
SD B:MET614 3.9 26.4 1.0
C A:ILE558 4.1 28.8 1.0
CE B:MET620 4.1 35.7 1.0
CA A:ILE558 4.1 26.2 1.0
C A:GLN559 4.2 17.0 1.0
CD B:ARG382 4.3 17.2 1.0
CG A:GLN559 4.3 25.6 1.0
CB A:ILE558 4.5 25.8 1.0
CD1 A:ILE558 4.5 24.8 1.0
CA B:SER618 4.7 19.1 1.0
CG B:MET620 4.9 26.8 1.0
CD B:PRO619 4.9 25.5 1.0
NH1 B:ARG382 5.0 5.3 1.0

Chlorine binding site 6 out of 7 in 2pnc

Go back to Chlorine Binding Sites List in 2pnc
Chlorine binding site 6 out of 7 in the Crystal Structure of Bovine Plasma Copper-Containing Amine Oxidase in Complex with Clonidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Bovine Plasma Copper-Containing Amine Oxidase in Complex with Clonidine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl809

b:44.1
occ:1.00
 CL1 B:CLU809 0.0 44.1 1.0
CAL B:CLU809 1.8 43.2 1.0
CAD B:CLU809 2.8 43.3 1.0
CAN B:CLU809 2.8 43.7 1.0
NAJ B:CLU809 3.0 43.5 1.0
CB B:MET467 3.3 30.5 1.0
CAK B:CLU809 3.5 39.8 1.0
N B:MET467 3.5 24.8 1.0
CE1 B:TYR472 3.6 29.4 1.0
CD1 B:TYR472 3.7 28.5 1.0
CG B:MET467 3.7 31.0 1.0
NAI B:CLU809 3.8 39.3 1.0
SD B:MET467 3.8 51.8 1.0
CA B:MET467 4.0 32.8 1.0
CAM B:CLU809 4.1 43.3 1.0
CAC B:CLU809 4.1 43.8 1.0
C B:THR466 4.3 23.0 1.0
CB B:TPQ470 4.3 39.2 1.0
O B:SER465 4.4 13.0 1.0
O B:MET467 4.4 39.9 1.0
CZ B:TYR472 4.4 31.9 1.0
NAH B:CLU809 4.5 36.0 1.0
CG B:TYR472 4.6 28.2 1.0
CAE B:CLU809 4.6 43.4 1.0
C B:TPQ470 4.6 36.4 1.0
N B:ASP471 4.6 13.6 1.0
CA B:THR466 4.7 23.1 1.0
C B:MET467 4.7 37.9 1.0
OD2 B:ASP385 4.8 30.6 1.0
C B:SER465 4.8 16.9 1.0
O B:TPQ470 4.8 43.4 1.0
CE B:MET467 4.9 38.9 1.0
N B:TYR472 4.9 20.5 1.0
N B:THR466 4.9 18.2 1.0
OH B:TYR472 4.9 37.6 1.0

Chlorine binding site 7 out of 7 in 2pnc

Go back to Chlorine Binding Sites List in 2pnc
Chlorine binding site 7 out of 7 in the Crystal Structure of Bovine Plasma Copper-Containing Amine Oxidase in Complex with Clonidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Bovine Plasma Copper-Containing Amine Oxidase in Complex with Clonidine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl809

b:42.9
occ:1.00
 CL2 B:CLU809 0.0 42.9 1.0
CAM B:CLU809 1.8 43.3 1.0
CAN B:CLU809 2.8 43.7 1.0
CAE B:CLU809 2.8 43.4 1.0
NAJ B:CLU809 3.0 43.5 1.0
O2 B:TPQ470 3.4 40.2 1.0
OH B:TYR472 3.5 37.6 1.0
CE1 B:HIS521 3.6 32.6 1.0
CB B:ALA369 3.6 23.8 1.0
ND1 B:HIS521 3.7 34.4 1.0
CAK B:CLU809 3.7 39.8 1.0
C2 B:TPQ470 3.8 40.1 1.0
C3 B:TPQ470 4.0 42.3 1.0
CAL B:CLU809 4.1 43.2 1.0
CAC B:CLU809 4.1 43.8 1.0
OH B:TYR371 4.2 28.6 1.0
NAI B:CLU809 4.2 39.3 1.0
CZ B:TYR472 4.5 31.9 1.0
O B:HOH901 4.5 25.9 1.0
CAD B:CLU809 4.6 43.3 1.0
NAH B:CLU809 4.6 36.0 1.0
CD2 B:TYR383 4.7 22.6 1.0
OD2 B:ASP385 4.7 30.6 1.0
CE1 B:TYR371 4.8 14.1 1.0
C1 B:TPQ470 4.8 40.4 1.0
NE2 B:HIS521 4.9 33.5 1.0
CZ B:TYR371 4.9 17.4 1.0
C4 B:TPQ470 5.0 40.5 1.0

Reference:

A.Holt, D.J.Smith, L.Cendron, G.Zanotti, A.Rigo, M.L.Di Paolo. Multiple Binding Sites For Substrates and Modulators of Semicarbazide-Sensitive Amine Oxidases: Kinetic Consequences Mol.Pharmacol. V. 73 525 2008.
ISSN: ISSN 0026-895X
PubMed: 17989349
DOI: 10.1124/MOL.107.040964
Page generated: Sat Jul 20 10:14:04 2024

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