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Chlorine in PDB 1rky: Pplo + Xe

Enzymatic activity of Pplo + Xe

All present enzymatic activity of Pplo + Xe:
1.4.3.13;

Protein crystallography data

The structure of Pplo + Xe, PDB code: 1rky was solved by J.M.Guss, A.P.Duff, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.47 / 1.68
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 140.144, 66.702, 108.620, 90.00, 119.24, 90.00
R / Rfree (%) 15.1 / 18.2

Other elements in 1rky:

The structure of Pplo + Xe also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms
Xenon (Xe) 8 atoms
Calcium (Ca) 2 atoms
Copper (Cu) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Pplo + Xe (pdb code 1rky). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Pplo + Xe, PDB code: 1rky:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 1rky

Go back to Chlorine Binding Sites List in 1rky
Chlorine binding site 1 out of 6 in the Pplo + Xe


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pplo + Xe within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl811

b:40.5
occ:1.00
O A:HOH2200 3.1 39.7 1.0
O A:HOH2461 3.1 43.1 1.0
O A:HOH2489 3.3 54.2 1.0
N A:ASP665 3.3 28.6 1.0
N A:TYR664 3.3 27.4 1.0
N A:LEU663 3.7 27.1 1.0
CA A:TYR664 3.9 25.9 1.0
C A:ALA662 3.9 25.8 1.0
CB A:TYR664 3.9 31.2 1.0
CG1 A:VAL171 4.0 36.5 1.0
CB A:ASP665 4.0 31.6 1.0
C A:TYR664 4.0 28.6 1.0
CA A:ASP665 4.2 30.8 1.0
CA A:ALA662 4.2 25.8 1.0
CG A:PRO222 4.2 51.4 1.0
C A:LEU663 4.4 27.2 1.0
O A:ALA662 4.4 27.2 1.0
CD1 A:TYR664 4.5 34.2 1.0
CA A:LEU663 4.5 23.8 1.0
O A:HOH2315 4.6 51.5 1.0
C A:ASP665 4.6 30.9 1.0
CB A:ALA662 4.7 26.6 1.0
CD2 A:HIS220 4.7 33.1 1.0
CG A:TYR664 4.7 28.4 1.0
O A:ASP665 4.8 29.2 1.0
CB A:VAL171 5.0 29.3 1.0
CB A:LEU663 5.0 25.5 1.0

Chlorine binding site 2 out of 6 in 1rky

Go back to Chlorine Binding Sites List in 1rky
Chlorine binding site 2 out of 6 in the Pplo + Xe


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Pplo + Xe within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl812

b:41.7
occ:1.00
O A:HOH2470 2.9 42.9 1.0
N A:SER165 3.2 33.0 1.0
N A:LYS166 3.3 31.2 1.0
CB A:LYS164 3.6 30.7 1.0
CA A:LYS164 3.6 25.8 1.0
OG A:SER165 3.6 32.5 1.0
CB A:LYS166 3.8 36.7 1.0
O A:HOH2359 3.8 50.1 1.0
CG A:LYS166 3.8 28.2 1.0
C A:LYS164 3.8 28.5 1.0
CG A:LYS164 4.0 30.8 1.0
CA A:SER165 4.1 31.5 1.0
CA A:LYS166 4.1 32.2 1.0
CD A:LYS166 4.1 31.8 1.0
C A:SER165 4.2 33.1 1.0
CB A:SER165 4.4 32.6 1.0
O A:HOH2241 4.5 39.6 1.0
O A:LYS166 4.5 32.1 1.0
NZ A:LYS166 4.6 64.8 1.0
C A:LYS166 4.8 29.3 1.0
CD A:LYS164 4.8 32.9 1.0
N A:LYS164 4.9 28.8 1.0
O A:GLY163 4.9 34.9 1.0

Chlorine binding site 3 out of 6 in 1rky

Go back to Chlorine Binding Sites List in 1rky
Chlorine binding site 3 out of 6 in the Pplo + Xe


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Pplo + Xe within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl813

b:43.0
occ:1.00
O A:HOH2107 2.9 29.2 1.0
O A:HOH2233 2.9 36.7 1.0
O A:HOH2485 3.1 52.1 1.0
N A:ASP297 3.2 31.8 1.0
CB A:ASP297 3.8 36.6 1.0
CB A:ASP521 3.9 34.9 0.7
CA A:ILE296 3.9 27.3 1.0
CB A:ASP521 3.9 33.8 0.3
CA A:ASP297 4.0 30.8 1.0
C A:ILE296 4.0 33.8 1.0
ND1 A:HIS520 4.1 30.1 1.0
CG2 A:ILE296 4.1 31.2 1.0
CG2 A:VAL522 4.1 29.1 1.0
CE1 A:HIS520 4.2 29.0 1.0
OD2 A:ASP521 4.3 34.4 0.3
CG A:ASP521 4.4 39.6 0.7
CB A:ILE296 4.5 31.7 1.0
OD2 A:ASP521 4.5 40.6 0.7
CG A:ASP521 4.6 46.0 0.3
O A:ASP297 4.6 34.0 1.0
C A:ASP297 4.7 32.7 1.0
O A:HOH2309 4.7 39.0 1.0
O A:LYS295 4.7 34.9 1.0
O A:HOH2226 4.7 28.4 1.0
N A:VAL522 4.7 27.7 1.0
CA A:ASP521 4.9 30.8 1.0
N A:ASP521 5.0 32.8 1.0

Chlorine binding site 4 out of 6 in 1rky

Go back to Chlorine Binding Sites List in 1rky
Chlorine binding site 4 out of 6 in the Pplo + Xe


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Pplo + Xe within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl814

b:48.4
occ:0.80
N A:ARG574 3.0 26.6 1.0
CA A:ALA573 3.7 28.4 1.0
C A:ALA573 3.8 25.7 1.0
CB A:ARG574 3.8 28.1 1.0
CA A:ARG574 3.9 24.6 1.0
O A:ARG574 4.3 28.3 1.0
O A:ILE572 4.5 25.8 1.0
CB A:ALA573 4.6 30.5 1.0
C A:ARG574 4.6 32.6 1.0
N A:ALA573 4.6 22.9 1.0
O A:HOH2351 4.9 50.5 1.0
C A:ILE572 4.9 26.7 1.0
O A:ALA573 5.0 27.2 1.0

Chlorine binding site 5 out of 6 in 1rky

Go back to Chlorine Binding Sites List in 1rky
Chlorine binding site 5 out of 6 in the Pplo + Xe


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Pplo + Xe within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl815

b:46.3
occ:0.80
O A:HOH2606 3.0 52.2 1.0
N A:TYR421 3.2 23.9 1.0
O A:HOH2604 3.6 54.1 1.0
CA A:GLY420 3.7 26.4 1.0
C A:GLY420 3.9 29.8 1.0
CB A:TYR421 3.9 27.9 1.0
O A:TYR421 4.0 27.0 1.0
CD1 A:TYR421 4.0 29.5 1.0
CA A:TYR421 4.0 25.0 1.0
O A:HOH2433 4.2 51.5 1.0
CG A:TYR421 4.4 29.2 1.0
O A:ALA419 4.5 29.6 1.0
C A:TYR421 4.5 27.9 1.0
ND2 A:ASN764 4.8 43.3 1.0
N A:GLY420 4.9 23.5 1.0
NH2 A:ARG331 5.0 30.0 1.0

Chlorine binding site 6 out of 6 in 1rky

Go back to Chlorine Binding Sites List in 1rky
Chlorine binding site 6 out of 6 in the Pplo + Xe


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Pplo + Xe within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl816

b:49.2
occ:0.50
O A:HOH2499 3.3 52.5 1.0
O A:HOH2008 3.3 46.0 0.5
CG A:ASP259 3.3 41.5 1.0
OD1 A:ASP259 3.5 45.2 1.0
CB A:ASP259 3.6 33.0 1.0
CZ A:PHE91 3.6 30.9 1.0
OD2 A:ASP259 3.7 38.3 1.0
CE1 A:PHE91 3.8 29.3 1.0
CA A:ASP259 3.9 32.2 1.0
O A:HOH2173 4.5 36.2 1.0
CE2 A:PHE91 4.6 32.3 1.0
N A:ASP259 4.7 35.8 1.0
O A:ARG258 4.7 37.9 1.0
O A:HOH2353 4.9 45.3 1.0
CD1 A:PHE91 4.9 34.6 1.0

Reference:

A.P.Duff, D.M.Trambaiolo, A.E.Cohen, P.J.Ellis, G.A.Juda, E.M.Shepard, D.B.Langley, D.M.Dooley, H.C.Freeman, J.M.Guss. Using Xenon As A Probe For Dioxygen-Binding Sites in Copper Amine Oxidases J.Mol.Biol. V. 344 599 2004.
ISSN: ISSN 0022-2836
PubMed: 15533431
DOI: 10.1016/J.JMB.2004.09.075
Page generated: Sat Dec 12 08:48:13 2020

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