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Chlorine in PDB 3u8b: Functionally Selective Inhibition of Group Iia Phospholipase A2 Reveals A Role For Vimentin in Regulating Arachidonic Acid Metabolism

Enzymatic activity of Functionally Selective Inhibition of Group Iia Phospholipase A2 Reveals A Role For Vimentin in Regulating Arachidonic Acid Metabolism

All present enzymatic activity of Functionally Selective Inhibition of Group Iia Phospholipase A2 Reveals A Role For Vimentin in Regulating Arachidonic Acid Metabolism:
3.1.1.4;

Protein crystallography data

The structure of Functionally Selective Inhibition of Group Iia Phospholipase A2 Reveals A Role For Vimentin in Regulating Arachidonic Acid Metabolism, PDB code: 3u8b was solved by L.K.Lee, K.J.Bryant, R.Bouveret, P.-W.Lei, A.P.Duff, S.J.Harrop, E.P.Huang, R.P.Harvey, M.H.Gelb, P.P.Gray, P.M.Curmi, A.M.Cunningham, W.B.Church, K.F.Scott, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.45 / 2.30
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 74.683, 74.683, 89.159, 90.00, 90.00, 120.00
R / Rfree (%) 20.7 / 25.7

Other elements in 3u8b:

The structure of Functionally Selective Inhibition of Group Iia Phospholipase A2 Reveals A Role For Vimentin in Regulating Arachidonic Acid Metabolism also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Functionally Selective Inhibition of Group Iia Phospholipase A2 Reveals A Role For Vimentin in Regulating Arachidonic Acid Metabolism (pdb code 3u8b). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Functionally Selective Inhibition of Group Iia Phospholipase A2 Reveals A Role For Vimentin in Regulating Arachidonic Acid Metabolism, PDB code: 3u8b:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3u8b

Go back to Chlorine Binding Sites List in 3u8b
Chlorine binding site 1 out of 2 in the Functionally Selective Inhibition of Group Iia Phospholipase A2 Reveals A Role For Vimentin in Regulating Arachidonic Acid Metabolism


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Functionally Selective Inhibition of Group Iia Phospholipase A2 Reveals A Role For Vimentin in Regulating Arachidonic Acid Metabolism within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl125

b:85.7
occ:1.00
H A:LYS115 3.0 79.2 1.0
HB3 A:LYS115 3.1 81.2 1.0
O A:HOH153 3.4 45.1 1.0
H A:ASN114 3.5 57.4 1.0
N A:LYS115 3.6 66.0 1.0
HG2 A:LYS115 3.6 81.5 1.0
HB2 A:ASN114 3.8 67.8 1.0
CB A:LYS115 3.9 67.6 1.0
HD3 A:LYS115 3.9 79.1 1.0
N A:ASN114 4.0 47.8 1.0
HB3 A:SER113 4.1 63.2 1.0
CG A:LYS115 4.2 67.9 1.0
CA A:LYS115 4.3 71.7 1.0
C A:ASN114 4.4 61.3 1.0
CA A:ASN114 4.5 53.9 1.0
HA A:LYS115 4.5 86.0 1.0
CD A:LYS115 4.5 65.9 1.0
CB A:ASN114 4.6 56.5 1.0
HE2 A:LYS115 4.6 83.1 1.0
HB2 A:LYS115 4.7 81.2 1.0
HA A:SER113 4.7 65.3 1.0
C A:SER113 4.8 51.2 1.0
CB A:SER113 4.9 52.6 1.0

Chlorine binding site 2 out of 2 in 3u8b

Go back to Chlorine Binding Sites List in 3u8b
Chlorine binding site 2 out of 2 in the Functionally Selective Inhibition of Group Iia Phospholipase A2 Reveals A Role For Vimentin in Regulating Arachidonic Acid Metabolism


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Functionally Selective Inhibition of Group Iia Phospholipase A2 Reveals A Role For Vimentin in Regulating Arachidonic Acid Metabolism within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl128

b:80.3
occ:1.00
HH11 A:ARG7 2.4 74.7 1.0
HD21 A:ASN4 2.8 66.2 1.0
NH1 A:ARG7 3.2 62.2 1.0
ND2 A:ASN4 3.3 55.1 1.0
HD22 A:ASN4 3.4 66.2 1.0
HH12 A:ARG7 3.4 74.7 1.0
HD2 A:ARG7 3.5 68.2 1.0
HD3 A:ARG7 3.6 68.2 1.0
HE1 A:PHE68 3.7 50.5 1.0
CD A:ARG7 4.0 56.8 1.0
HA A:ASN4 4.0 65.2 1.0
CE1 A:PHE68 4.1 42.1 1.0
CZ A:ARG7 4.3 65.2 1.0
CG A:ASN4 4.5 60.8 1.0
HZ A:PHE68 4.6 54.5 1.0
NE A:ARG7 4.6 62.1 1.0
CZ A:PHE68 4.6 45.4 1.0
CD1 A:PHE68 4.6 43.7 1.0
HB3 A:ASN4 4.7 67.0 1.0
HD1 A:PHE68 4.7 52.4 1.0
HB2 A:ARG7 4.7 68.5 1.0
CA A:ASN4 4.9 54.3 1.0
H A:PHE68 4.9 59.2 1.0
CB A:ASN4 4.9 55.9 1.0

Reference:

L.K.Lee, K.J.Bryant, R.Bouveret, P.W.Lei, A.P.Duff, S.J.Harrop, E.P.Huang, R.P.Harvey, M.H.Gelb, P.P.Gray, P.M.Curmi, A.M.Cunningham, W.B.Church, K.F.Scott. Selective Inhibition of Human Group Iia-Secreted Phospholipase A2 (Hgiia) Signaling Reveals Arachidonic Acid Metabolism Is Associated with Colocalization of Hgiia to Vimentin in Rheumatoid Synoviocytes. J.Biol.Chem. V. 288 15269 2013.
ISSN: ISSN 0021-9258
PubMed: 23482564
DOI: 10.1074/JBC.M112.397893
Page generated: Sat Dec 12 10:14:10 2020

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