Atomistry » Chlorine » PDB 3lcc-3lnj » 3lf2
Atomistry »
  Chlorine »
    PDB 3lcc-3lnj »
      3lf2 »

Chlorine in PDB 3lf2: Nadph Bound Structure of the Short Chain Oxidoreductase Q9HYA2 From Pseudomonas Aeruginosa PAO1 Containing An Atypical Catalytic Center

Protein crystallography data

The structure of Nadph Bound Structure of the Short Chain Oxidoreductase Q9HYA2 From Pseudomonas Aeruginosa PAO1 Containing An Atypical Catalytic Center, PDB code: 3lf2 was solved by R.Huether, T.C.Umland, W.L.Duax, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.89 / 2.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 65.788, 112.607, 136.584, 90.00, 90.00, 90.00
R / Rfree (%) 17.3 / 23.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Nadph Bound Structure of the Short Chain Oxidoreductase Q9HYA2 From Pseudomonas Aeruginosa PAO1 Containing An Atypical Catalytic Center (pdb code 3lf2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Nadph Bound Structure of the Short Chain Oxidoreductase Q9HYA2 From Pseudomonas Aeruginosa PAO1 Containing An Atypical Catalytic Center, PDB code: 3lf2:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 3lf2

Go back to Chlorine Binding Sites List in 3lf2
Chlorine binding site 1 out of 3 in the Nadph Bound Structure of the Short Chain Oxidoreductase Q9HYA2 From Pseudomonas Aeruginosa PAO1 Containing An Atypical Catalytic Center


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Nadph Bound Structure of the Short Chain Oxidoreductase Q9HYA2 From Pseudomonas Aeruginosa PAO1 Containing An Atypical Catalytic Center within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:77.7
occ:1.00
NH2 A:ARG163 2.8 58.0 1.0
NE A:ARG163 3.5 47.1 1.0
CE A:MET156 3.6 42.0 1.0
CZ A:ARG163 3.6 53.5 1.0
CD1 A:LEU148 3.7 31.4 1.0
CG2 A:THR159 3.8 34.2 0.5
CB A:SER146 4.0 36.5 1.0
OG1 A:THR159 4.0 34.6 0.5
OG A:SER146 4.1 41.5 1.0
CA A:GLY98 4.2 70.0 1.0
CG A:LEU148 4.6 30.2 1.0
CG2 A:THR159 4.6 33.4 0.5
O A:HOH509 4.7 43.3 1.0
N A:GLY98 4.8 72.0 1.0
CD A:ARG163 4.9 38.2 1.0
NH1 A:ARG163 4.9 55.3 1.0
CB A:THR159 4.9 33.9 0.5
CB A:THR159 5.0 33.8 0.5

Chlorine binding site 2 out of 3 in 3lf2

Go back to Chlorine Binding Sites List in 3lf2
Chlorine binding site 2 out of 3 in the Nadph Bound Structure of the Short Chain Oxidoreductase Q9HYA2 From Pseudomonas Aeruginosa PAO1 Containing An Atypical Catalytic Center


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Nadph Bound Structure of the Short Chain Oxidoreductase Q9HYA2 From Pseudomonas Aeruginosa PAO1 Containing An Atypical Catalytic Center within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:0.1
occ:1.00
NE C:ARG163 2.9 55.1 1.0
NH2 C:ARG163 3.0 60.0 1.0
CZ C:ARG163 3.2 53.8 1.0
CD1 C:LEU148 3.7 26.6 1.0
CG2 C:THR159 3.7 38.4 0.5
OG1 C:THR159 3.8 38.8 0.5
CE C:MET156 3.8 40.1 1.0
CD C:ARG163 3.9 50.5 1.0
O C:HOH443 3.9 46.1 1.0
CB C:SER146 4.0 39.5 1.0
OG C:SER146 4.1 44.8 1.0
NH1 C:ARG163 4.3 48.5 1.0
CA C:GLY98 4.4 87.3 1.0
CG C:LEU148 4.8 28.8 1.0
CB C:THR159 4.9 38.4 0.5
CG2 C:THR159 4.9 38.4 0.5
CB C:THR159 4.9 38.1 0.5

Chlorine binding site 3 out of 3 in 3lf2

Go back to Chlorine Binding Sites List in 3lf2
Chlorine binding site 3 out of 3 in the Nadph Bound Structure of the Short Chain Oxidoreductase Q9HYA2 From Pseudomonas Aeruginosa PAO1 Containing An Atypical Catalytic Center


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Nadph Bound Structure of the Short Chain Oxidoreductase Q9HYA2 From Pseudomonas Aeruginosa PAO1 Containing An Atypical Catalytic Center within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl303

b:75.8
occ:1.00
NH2 D:ARG163 2.8 50.4 1.0
CD1 D:LEU148 3.5 33.0 1.0
CZ D:ARG163 3.5 46.2 1.0
OG D:SER146 3.6 34.6 1.0
NE D:ARG163 3.7 43.3 1.0
O D:HOH443 3.7 40.6 1.0
CB D:SER146 3.7 30.5 1.0
CE D:MET156 3.9 26.8 1.0
CG2 D:THR159 4.3 27.4 0.5
CA D:GLY98 4.4 87.2 1.0
OG1 D:THR159 4.5 27.7 0.5
CG D:LEU148 4.5 32.9 1.0
NH1 D:ARG163 4.6 44.6 1.0
N D:GLY98 4.8 93.4 1.0
CD D:ARG163 4.9 37.6 1.0

Reference:

R.Huether, Q.Mao, W.L.Duax, T.C.Umland. The Short-Chain Oxidoreductase Q9HYA2 From Pseudomonas Aeruginosa PAO1 Contains An Atypical Catalytic Center. Protein Sci. V. 19 1097 2010.
ISSN: ISSN 0961-8368
PubMed: 20340135
DOI: 10.1002/PRO.384
Page generated: Sat Dec 12 09:53:04 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy