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Chlorine in PDB 3zje: A20 Otu Domain in Reversibly Oxidised (Soh) State

Enzymatic activity of A20 Otu Domain in Reversibly Oxidised (Soh) State

All present enzymatic activity of A20 Otu Domain in Reversibly Oxidised (Soh) State:
3.4.19.12;

Protein crystallography data

The structure of A20 Otu Domain in Reversibly Oxidised (Soh) State, PDB code: 3zje was solved by Y.Kulathu, F.J.Garcia, T.E.T.Mevissen, M.Busch, N.Arnaudo, K.S.Carroll, D.Barford, D.Komander, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.717 / 1.84
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 43.850, 69.150, 84.700, 99.14, 100.28, 97.09
R / Rfree (%) 18.22 / 22.03

Chlorine Binding Sites:

The binding sites of Chlorine atom in the A20 Otu Domain in Reversibly Oxidised (Soh) State (pdb code 3zje). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the A20 Otu Domain in Reversibly Oxidised (Soh) State, PDB code: 3zje:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 3zje

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Chlorine binding site 1 out of 6 in the A20 Otu Domain in Reversibly Oxidised (Soh) State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of A20 Otu Domain in Reversibly Oxidised (Soh) State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1359

b:29.8
occ:1.00
 O A:HOH2104 2.4 32.1 1.0
O A:HOH2108 3.0 21.2 1.0
N A:LYS287 3.2 15.4 1.0
O A:GLY230 3.4 17.8 1.0
C A:GLY230 3.4 14.1 1.0
O A:HOH2102 3.6 18.7 1.0
N A:GLY231 3.6 12.2 1.0
CA A:GLY231 3.6 14.7 1.0
CA A:LEU286 3.8 11.8 1.0
CB A:LYS287 3.9 22.9 1.0
C A:LEU286 4.0 18.9 1.0
NZ A:LYS213 4.1 53.2 1.0
CA A:GLY230 4.1 14.3 1.0
CB A:LEU286 4.1 12.5 1.0
CG A:LEU286 4.2 26.1 1.0
CA A:LYS287 4.2 18.1 1.0
O A:HOH2129 4.2 51.8 1.0
CE A:LYS213 4.8 59.2 1.0
CD1 A:LEU286 4.8 29.9 1.0
O A:LYS287 4.9 18.8 1.0
O A:ASP285 4.9 19.7 1.0
ND2 A:ASN277 5.0 29.6 1.0
O A:LEU227 5.0 26.5 1.0

Chlorine binding site 2 out of 6 in 3zje

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Chlorine binding site 2 out of 6 in the A20 Otu Domain in Reversibly Oxidised (Soh) State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of A20 Otu Domain in Reversibly Oxidised (Soh) State within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1360

b:49.7
occ:1.00
 N A:MET214 3.0 34.3 1.0
CD1 A:LEU227 3.3 52.8 1.0
CA A:LYS213 3.7 38.0 1.0
CB A:MET214 3.8 35.1 1.0
C A:LYS213 3.8 37.9 1.0
CA A:MET214 4.0 28.9 1.0
O A:HOH2035 4.1 47.4 1.0
CG A:MET214 4.1 46.1 1.0
N A:LEU227 4.2 47.2 1.0
CE A:MET214 4.2 60.0 1.0
CG A:LYS213 4.4 52.6 1.0
CA A:LEU227 4.4 50.0 1.0
O A:HOH2109 4.5 43.5 1.0
CG A:LEU227 4.5 50.2 1.0
CB A:LYS213 4.5 45.7 1.0
N A:LYS213 4.7 32.0 1.0
O B:HOH2156 4.8 48.8 1.0
O A:ASP212 4.8 23.9 1.0
O A:LYS213 5.0 33.3 1.0
CB A:LEU227 5.0 49.5 1.0
CD2 A:LEU227 5.0 49.1 1.0

Chlorine binding site 3 out of 6 in 3zje

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Chlorine binding site 3 out of 6 in the A20 Otu Domain in Reversibly Oxidised (Soh) State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of A20 Otu Domain in Reversibly Oxidised (Soh) State within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1358

b:18.7
occ:1.00
 NE1 B:TRP317 3.2 21.1 1.0
N B:GLY281 3.3 20.1 1.0
N B:ARG280 3.9 25.6 1.0
CA B:GLY281 4.0 23.4 1.0
CB B:ARG278 4.1 19.8 1.0
CE2 B:TRP317 4.1 18.0 1.0
O B:HOH2120 4.1 36.5 1.0
CD1 B:TRP317 4.1 20.3 1.0
CA B:ARG280 4.2 27.0 1.0
C B:ARG280 4.2 21.1 1.0
CZ2 B:TRP317 4.3 21.7 1.0
C B:ASP279 4.5 23.6 1.0
N B:ASP279 4.6 20.0 1.0
C B:ARG278 4.7 18.5 1.0
CD B:ARG278 4.8 21.7 1.0
CA B:ASP279 4.9 25.1 1.0

Chlorine binding site 4 out of 6 in 3zje

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Chlorine binding site 4 out of 6 in the A20 Otu Domain in Reversibly Oxidised (Soh) State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of A20 Otu Domain in Reversibly Oxidised (Soh) State within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1359

b:22.1
occ:1.00
 O B:HOH2057 3.0 17.2 1.0
NH2 B:ARG278 3.2 23.3 1.0
N B:ARG87 3.3 16.6 1.0
O B:HOH2051 3.7 36.1 1.0
CA B:CYS86 3.7 15.6 1.0
CG B:ARG87 3.7 30.7 1.0
NH1 B:ARG87 3.8 43.2 1.0
SG B:CYS86 4.0 17.5 1.0
C B:CYS86 4.0 16.4 1.0
CZ3 B:TRP85 4.0 14.4 1.0
O B:TRP85 4.2 16.1 1.0
CB B:VAL314 4.2 17.6 1.0
CE3 B:TRP85 4.3 14.8 1.0
CB B:CYS86 4.3 15.3 1.0
CZ B:ARG278 4.3 26.6 1.0
CB B:ARG87 4.4 26.6 1.0
CA B:ARG87 4.4 22.7 1.0
NE B:ARG278 4.5 21.0 1.0
CZ B:ARG87 4.6 52.1 1.0
N B:GLN315 4.7 17.6 1.0
CG1 B:VAL314 4.7 18.8 1.0
CD B:ARG87 4.7 43.4 1.0
N B:GLU88 4.7 16.2 1.0
CG B:GLU88 4.8 15.2 1.0
N B:CYS86 4.8 13.2 1.0
C B:TRP85 4.9 17.3 1.0
OE2 B:GLU88 4.9 23.4 1.0
NE B:ARG87 5.0 46.6 1.0

Chlorine binding site 5 out of 6 in 3zje

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Chlorine binding site 5 out of 6 in the A20 Otu Domain in Reversibly Oxidised (Soh) State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of A20 Otu Domain in Reversibly Oxidised (Soh) State within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1360

b:22.3
occ:1.00
 NE2 B:HIS323 3.1 39.4 1.0
N B:TRP317 3.2 19.8 1.0
N B:ASP318 3.3 23.0 1.0
CB B:ASP318 3.8 28.4 1.0
CA B:GLY316 3.8 19.3 1.0
CE1 B:HIS323 3.8 41.2 1.0
CE3 B:TRP317 3.9 23.6 1.0
C B:GLY316 3.9 20.5 1.0
CA B:TRP317 4.0 20.7 1.0
CG2 B:THR321 4.0 44.4 1.0
CB B:THR321 4.0 43.7 1.0
CA B:ASP318 4.1 28.0 1.0
CB B:TRP317 4.1 21.0 1.0
C B:TRP317 4.2 23.8 1.0
CD2 B:HIS323 4.2 35.4 1.0
O B:ASP318 4.4 26.6 1.0
OG1 B:THR321 4.6 53.7 1.0
CD2 B:TRP317 4.7 23.0 1.0
C B:ASP318 4.7 31.5 1.0
CZ3 B:TRP317 4.8 21.4 1.0
CG B:TRP317 4.9 19.8 1.0
O B:GLY316 5.0 21.7 1.0

Chlorine binding site 6 out of 6 in 3zje

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Chlorine binding site 6 out of 6 in the A20 Otu Domain in Reversibly Oxidised (Soh) State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of A20 Otu Domain in Reversibly Oxidised (Soh) State within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1361

b:36.9
occ:1.00
 O B:HOH2128 3.0 48.9 1.0
N B:LYS287 3.2 18.1 1.0
O B:HOH2098 3.6 42.8 1.0
CA B:LEU286 3.7 19.7 1.0
CA B:GLY231 3.8 16.1 1.0
C B:GLY230 3.8 22.2 1.0
O B:GLY230 3.9 22.9 1.0
N B:GLY231 3.9 16.0 1.0
CB B:LYS287 3.9 25.0 1.0
C B:LEU286 4.0 21.0 1.0
CB B:LEU286 4.0 13.7 1.0
CA B:LYS287 4.2 19.6 1.0
CD2 B:LEU286 4.5 24.2 1.0
CG B:LYS287 4.5 46.8 1.0
O B:HOH2095 4.6 24.7 1.0
CA B:GLY230 4.6 19.5 1.0
O B:HOH2119 4.6 48.1 1.0
CD B:LYS287 4.7 68.1 1.0
CG B:LEU286 4.7 24.6 1.0
O B:LYS287 4.9 18.8 1.0

Reference:

Y.Kulathu, F.J.Garcia, T.E.T.Mevissen, M.Busch, N.Arnaudo, K.S.Carroll, D.Barford, D.Komander. Regulation of A20 and Other Otu Deubiquitinases By Reversible Oxidation Nat.Commun. V. 4 1569 2013.
ISSN: ISSN 2041-1723
PubMed: 23463012
DOI: 10.1038/NCOMMS2567
Page generated: Sat Dec 12 10:21:11 2020

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