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Zinc in PDB 3phx: Otu Domain of Crimean Congo Hemorrhagic Fever Virus in Complex with ISG15

Enzymatic activity of Otu Domain of Crimean Congo Hemorrhagic Fever Virus in Complex with ISG15

All present enzymatic activity of Otu Domain of Crimean Congo Hemorrhagic Fever Virus in Complex with ISG15:
2.7.7.48; 3.4.19.12;

Protein crystallography data

The structure of Otu Domain of Crimean Congo Hemorrhagic Fever Virus in Complex with ISG15, PDB code: 3phx was solved by M.Akutsu, Y.Ye, S.Virdee, D.Komander, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 41.520, 37.100, 84.350, 90.00, 94.24, 90.00
R / Rfree (%) 14 / 19.2

Zinc Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Zinc atom in the Otu Domain of Crimean Congo Hemorrhagic Fever Virus in Complex with ISG15 (pdb code 3phx). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 12 binding sites of Zinc where determined in the Otu Domain of Crimean Congo Hemorrhagic Fever Virus in Complex with ISG15, PDB code: 3phx:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 12 in 3phx

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Zinc binding site 1 out of 12 in the Otu Domain of Crimean Congo Hemorrhagic Fever Virus in Complex with ISG15


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Otu Domain of Crimean Congo Hemorrhagic Fever Virus in Complex with ISG15 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn184

b:19.8
occ:0.53
 O A:HOH318 2.1 9.4 0.8
NZ A:LYS53 3.1 26.7 1.0
ND1 A:HIS43 3.2 14.3 1.0
N A:TYR58 3.2 12.8 1.0
N A:SER57 3.4 15.6 1.0
O A:ASP55 3.5 26.5 1.0
CE A:LYS53 3.6 25.9 1.0
CB A:ALA46 3.8 14.2 1.0
O A:THR54 3.8 26.6 1.0
O A:HOH236 3.8 31.8 1.0
CB A:TYR58 3.9 10.8 1.0
CD A:LYS53 3.9 27.2 1.0
CE1 A:HIS43 3.9 13.2 1.0
C A:SER57 4.0 13.8 1.0
CA A:SER57 4.0 14.8 1.0
CB A:SER57 4.0 18.0 1.0
C A:ASP55 4.0 24.9 1.0
C A:HIS56 4.0 16.6 1.0
CA A:TYR58 4.0 12.7 1.0
CA A:HIS43 4.1 9.7 1.0
CD2 A:TYR58 4.1 13.5 1.0
CA A:HIS56 4.1 17.5 1.0
CG A:HIS43 4.3 12.0 1.0
N A:HIS56 4.3 18.9 1.0
O A:HIS43 4.4 11.6 1.0
CG A:TYR58 4.5 12.4 1.0
CB A:HIS43 4.6 10.0 1.0
C A:HIS43 4.8 11.0 1.0
OG A:SER57 4.9 20.7 1.0
O A:HIS56 5.0 18.1 1.0
C A:THR54 5.0 26.2 1.0

Zinc binding site 2 out of 12 in 3phx

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Zinc binding site 2 out of 12 in the Otu Domain of Crimean Congo Hemorrhagic Fever Virus in Complex with ISG15


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Otu Domain of Crimean Congo Hemorrhagic Fever Virus in Complex with ISG15 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn185

b:17.3
occ:0.88
 O A:HOH268 2.0 18.2 0.5
OD1 A:ASP8 2.0 20.3 1.0
O A:HOH255 2.2 12.6 1.0
CG A:ASP8 3.0 18.7 1.0
OD2 A:ASP8 3.3 18.7 1.0
O A:SER6 3.5 19.0 1.0
C A:SER6 4.2 18.1 1.0
CB A:ASP8 4.3 17.6 1.0
O A:LEU7 4.4 20.5 1.0
CA A:SER6 4.5 18.2 1.0
CA A:ASP8 4.6 15.6 1.0
CB A:SER6 4.6 21.9 1.0
C A:LEU7 4.6 18.3 1.0
N A:ASP8 4.7 16.7 1.0

Zinc binding site 3 out of 12 in 3phx

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Zinc binding site 3 out of 12 in the Otu Domain of Crimean Congo Hemorrhagic Fever Virus in Complex with ISG15


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Otu Domain of Crimean Congo Hemorrhagic Fever Virus in Complex with ISG15 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn186

b:18.5
occ:0.86
 O A:HOH262 2.0 21.7 0.9
O A:HOH266 2.0 32.4 1.0
OD2 A:ASP8 2.1 18.7 1.0
CG A:ASP8 3.1 18.7 1.0
CB A:ASP8 3.5 17.6 1.0
O A:HOH268 3.9 18.2 0.5
O A:HOH324 4.1 39.7 1.0
OD1 A:ASP8 4.2 20.3 1.0
O A:HOH242 4.2 41.2 1.0
O A:HOH245 4.3 32.8 1.0
CA A:ASP8 4.9 15.6 1.0
O A:HOH240 4.9 21.5 1.0
O A:HOH238 5.0 28.5 1.0

Zinc binding site 4 out of 12 in 3phx

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Zinc binding site 4 out of 12 in the Otu Domain of Crimean Congo Hemorrhagic Fever Virus in Complex with ISG15


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Otu Domain of Crimean Congo Hemorrhagic Fever Virus in Complex with ISG15 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn187

b:33.5
occ:0.49
 ND2 A:ASN24 2.1 31.3 1.0
O A:HOH320 2.3 36.7 1.0
CG A:ASN24 3.0 28.2 1.0
OE2 A:GLU126 3.2 38.4 1.0
OD1 A:ASN24 3.3 32.7 1.0
CB A:ASN24 4.4 20.7 1.0
CD A:GLU126 4.5 36.8 1.0
N A:ASN24 4.5 16.3 1.0
C A:PHE23 4.9 19.3 1.0
CA A:ASN24 4.9 16.5 1.0

Zinc binding site 5 out of 12 in 3phx

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Zinc binding site 5 out of 12 in the Otu Domain of Crimean Congo Hemorrhagic Fever Virus in Complex with ISG15


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Otu Domain of Crimean Congo Hemorrhagic Fever Virus in Complex with ISG15 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn188

b:20.9
occ:0.78
 NE2 A:HIS151 2.0 21.5 1.0
OD1 A:ASP153 2.0 15.1 1.0
O A:HOH259 2.1 25.2 1.0
O A:HOH258 2.2 25.4 1.0
OD2 A:ASP153 2.6 17.1 1.0
CG A:ASP153 2.6 14.2 1.0
CE1 A:HIS151 3.0 23.3 1.0
CD2 A:HIS151 3.0 20.7 1.0
O A:GLN34 4.0 20.5 1.0
N A:GLN34 4.0 16.2 1.0
ND1 A:HIS151 4.1 21.8 1.0
CB A:ASP153 4.1 12.4 1.0
CG A:HIS151 4.1 18.2 1.0
NE A:ARG33 4.2 35.3 0.0
O A:PHE152 4.4 12.5 1.0
CA A:ARG33 4.4 18.1 1.0
CB A:ARG33 4.5 21.1 1.0
CD A:ARG33 4.6 32.7 1.0
C A:ARG33 4.7 17.4 1.0
CA A:ASP153 4.9 11.9 1.0
C A:GLN34 4.9 18.6 1.0
O A:HOH211 4.9 17.5 1.0
C A:PHE152 4.9 12.7 1.0
CA A:GLN34 4.9 15.2 1.0
CG A:ARG33 5.0 27.6 1.0

Zinc binding site 6 out of 12 in 3phx

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Zinc binding site 6 out of 12 in the Otu Domain of Crimean Congo Hemorrhagic Fever Virus in Complex with ISG15


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Otu Domain of Crimean Congo Hemorrhagic Fever Virus in Complex with ISG15 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn189

b:21.2
occ:0.52
 OD1 A:ASP88 2.1 28.2 1.0
O A:HOH330 2.6 56.9 1.0
O A:HOH331 2.6 41.3 1.0
O A:HOH234 3.0 23.2 0.8
CG A:ASP88 3.2 25.8 1.0
OD2 A:ASP88 3.6 27.2 1.0
CD A:LYS91 4.3 22.4 0.0
NZ A:LYS91 4.4 24.5 0.0
CB A:ASP88 4.5 20.6 1.0
CE A:LYS91 4.5 23.8 0.0
CA A:ASP88 4.6 18.6 1.0
N A:ASP88 4.9 17.6 1.0

Zinc binding site 7 out of 12 in 3phx

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Zinc binding site 7 out of 12 in the Otu Domain of Crimean Congo Hemorrhagic Fever Virus in Complex with ISG15


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Otu Domain of Crimean Congo Hemorrhagic Fever Virus in Complex with ISG15 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn190

b:48.3
occ:0.53
 OE2 A:GLU47 2.2 23.7 1.0
CD A:GLU47 3.1 23.9 1.0
OE1 A:GLU47 3.3 28.3 1.0
O A:HOH326 4.0 42.9 1.0
O A:HOH230 4.2 25.4 1.0
NH2 A:ARG156 4.3 29.4 1.0
CG A:GLU47 4.5 18.3 1.0
NH1 A:ARG156 4.5 32.5 1.0
CZ A:ARG156 4.9 29.3 1.0
CE A:LYS53 5.0 25.9 1.0

Zinc binding site 8 out of 12 in 3phx

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Zinc binding site 8 out of 12 in the Otu Domain of Crimean Congo Hemorrhagic Fever Virus in Complex with ISG15


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Otu Domain of Crimean Congo Hemorrhagic Fever Virus in Complex with ISG15 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn191

b:14.8
occ:0.87
 OXT A:ACY193 1.9 12.4 0.8
OD2 A:ASP37 1.9 16.6 1.0
NE2 A:HIS43 2.1 12.7 1.0
O A:HOH254 2.2 11.2 1.0
CG A:ASP37 2.8 17.1 1.0
CE1 A:HIS43 2.9 13.2 1.0
OD1 A:ASP37 2.9 16.5 1.0
C A:ACY193 2.9 16.8 0.8
CD2 A:HIS43 3.2 11.5 1.0
CH3 A:ACY193 3.4 18.7 0.8
CB A:PRO35 3.7 21.0 1.0
O A:HOH248 4.0 37.4 1.0
CG A:PRO35 4.0 18.4 1.0
ND1 A:HIS43 4.1 14.3 1.0
O A:ACY193 4.1 16.7 0.8
CB A:ASP37 4.2 15.8 1.0
CG A:HIS43 4.2 12.0 1.0
CE1 A:HIS56 4.3 16.4 1.0
ND2 A:ASN39 4.3 13.0 1.0
CE2 A:TYR58 4.5 14.3 1.0
CB A:ASN39 4.6 11.8 1.0
ND1 A:HIS56 4.8 19.1 1.0

Zinc binding site 9 out of 12 in 3phx

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Zinc binding site 9 out of 12 in the Otu Domain of Crimean Congo Hemorrhagic Fever Virus in Complex with ISG15


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Otu Domain of Crimean Congo Hemorrhagic Fever Virus in Complex with ISG15 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn192

b:23.3
occ:0.79
 N A:GLY-1 2.0 32.8 1.0
OD1 A:ASP2 2.1 25.2 1.0
O A:GLY-1 2.2 28.1 1.0
O A:HOH270 2.4 44.3 1.0
CA A:GLY-1 2.7 34.1 1.0
C A:GLY-1 2.8 32.7 1.0
CG A:ASP2 2.8 24.6 1.0
OD2 A:ASP2 2.9 28.7 1.0
N A:PRO0 4.1 34.6 1.0
CB A:ASP2 4.3 23.5 1.0
N A:ASP2 4.6 23.2 1.0
C A:ASP2 4.7 18.8 1.0
CA A:ASP2 4.7 20.7 1.0
CA A:PRO0 4.8 35.1 1.0
O A:ASP2 4.9 19.4 1.0
C A:PRO0 5.0 35.6 1.0

Zinc binding site 10 out of 12 in 3phx

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Zinc binding site 10 out of 12 in the Otu Domain of Crimean Congo Hemorrhagic Fever Virus in Complex with ISG15


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of Otu Domain of Crimean Congo Hemorrhagic Fever Virus in Complex with ISG15 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn1

b:28.3
occ:0.67
 NE2 B:HIS106 2.0 17.4 1.0
CE1 B:HIS106 2.9 19.9 1.0
CD2 B:HIS106 3.0 17.8 1.0
ND1 B:HIS106 4.1 18.7 1.0
CG B:HIS106 4.1 16.4 1.0

Reference:

M.Akutsu, Y.Ye, S.Virdee, J.W.Chin, D.Komander. Molecular Basis For Ubiquitin and ISG15 Cross-Reactivity in Viral Ovarian Tumor Domains. Proc.Natl.Acad.Sci.Usa V. 108 2228 2011.
ISSN: ISSN 0027-8424
PubMed: 21266548
DOI: 10.1073/PNAS.1015287108
Page generated: Sat Oct 26 11:27:02 2024

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