Zinc in PDB 8uks: Rna Polymerase II Elongation Complex with Fapy-Dg Lesion Soaking with Ctp Before Chemistry

Enzymatic activity of Rna Polymerase II Elongation Complex with Fapy-Dg Lesion Soaking with Ctp Before Chemistry

All present enzymatic activity of Rna Polymerase II Elongation Complex with Fapy-Dg Lesion Soaking with Ctp Before Chemistry:
2.7.7.6;

Protein crystallography data

The structure of Rna Polymerase II Elongation Complex with Fapy-Dg Lesion Soaking with Ctp Before Chemistry, PDB code: 8uks was solved by P.Hou, J.Oh, D.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.76 / 3.40
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 157.118, 221.626, 189.961, 90, 97.4, 90
R / Rfree (%) 26.7 / 30.2

Other elements in 8uks:

The structure of Rna Polymerase II Elongation Complex with Fapy-Dg Lesion Soaking with Ctp Before Chemistry also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Rna Polymerase II Elongation Complex with Fapy-Dg Lesion Soaking with Ctp Before Chemistry (pdb code 8uks). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the Rna Polymerase II Elongation Complex with Fapy-Dg Lesion Soaking with Ctp Before Chemistry, PDB code: 8uks:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Zinc binding site 1 out of 8 in 8uks

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Zinc binding site 1 out of 8 in the Rna Polymerase II Elongation Complex with Fapy-Dg Lesion Soaking with Ctp Before Chemistry


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Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Rna Polymerase II Elongation Complex with Fapy-Dg Lesion Soaking with Ctp Before Chemistry within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1802

b:315.0
occ:1.00
SG A:CYS110 2.3 237.5 1.0
SG A:CYS148 2.3 292.1 1.0
SG A:CYS167 2.3 240.7 1.0
SG A:CYS107 2.3 207.7 1.0
CB A:CYS110 3.2 210.9 1.0
CB A:CYS107 3.3 193.0 1.0
CB A:CYS167 3.3 213.3 1.0
CB A:CYS148 3.5 252.4 1.0
N A:CYS110 3.9 209.8 1.0
N A:GLY168 4.0 243.0 1.0
N A:CYS148 4.1 234.5 1.0
CA A:CYS110 4.1 211.2 1.0
O A:ASN169 4.2 203.6 1.0
CA A:CYS167 4.2 214.1 1.0
CA A:CYS148 4.4 235.3 1.0
C A:CYS167 4.4 225.8 1.0
CB A:HIS109 4.6 236.0 1.0
N A:ASN169 4.7 228.1 1.0
CA A:CYS107 4.7 167.9 1.0
C A:HIS109 4.8 217.2 1.0
CD2 A:HIS109 4.8 231.8 1.0
O A:CYS110 5.0 212.9 1.0
CA A:GLY168 5.0 239.5 1.0
O A:CYS148 5.0 223.8 1.0
CG2 A:VAL147 5.0 159.5 1.0

Zinc binding site 2 out of 8 in 8uks

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Zinc binding site 2 out of 8 in the Rna Polymerase II Elongation Complex with Fapy-Dg Lesion Soaking with Ctp Before Chemistry


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Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Rna Polymerase II Elongation Complex with Fapy-Dg Lesion Soaking with Ctp Before Chemistry within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1803

b:165.6
occ:1.00
NE2 A:HIS80 2.1 160.6 1.0
SG A:CYS77 2.3 105.6 1.0
SG A:CYS67 2.3 146.1 1.0
SG A:CYS70 2.3 146.6 1.0
CD2 A:HIS80 2.8 173.1 1.0
CE1 A:HIS80 3.1 161.6 1.0
CB A:CYS67 3.2 153.3 1.0
CB A:CYS77 3.2 123.0 1.0
CB A:CYS70 3.3 147.3 1.0
CG A:HIS80 3.9 169.8 1.0
N A:GLY79 4.0 145.5 1.0
ND1 A:HIS80 4.0 173.4 1.0
CA A:GLY79 4.2 127.7 1.0
CA A:CYS77 4.2 139.7 1.0
C A:CYS77 4.6 145.8 1.0
CA A:CYS67 4.6 157.4 1.0
C A:GLY79 4.6 124.9 1.0
O A:LEU58 4.6 173.4 1.0
O A:ARG57 4.7 178.8 1.0
CA A:CYS70 4.7 164.7 1.0
N A:HIS80 4.8 128.0 1.0
N A:PRO78 4.8 158.5 1.0
N A:GLN68 4.9 182.5 1.0

Zinc binding site 3 out of 8 in 8uks

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Zinc binding site 3 out of 8 in the Rna Polymerase II Elongation Complex with Fapy-Dg Lesion Soaking with Ctp Before Chemistry


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Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Rna Polymerase II Elongation Complex with Fapy-Dg Lesion Soaking with Ctp Before Chemistry within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn1302

b:192.1
occ:1.00
SG B:CYS1182 2.3 181.2 1.0
SG B:CYS1163 2.3 121.7 1.0
SG B:CYS1185 2.3 212.2 1.0
SG B:CYS1166 2.3 125.2 1.0
CB B:CYS1166 3.0 136.6 1.0
CB B:CYS1185 3.1 194.3 1.0
N B:CYS1166 3.4 163.6 1.0
CB B:CYS1182 3.4 158.3 1.0
CB B:CYS1163 3.5 121.6 1.0
CA B:CYS1166 3.7 157.5 1.0
CA B:CYS1185 4.2 195.6 1.0
C B:ILE1165 4.4 154.9 1.0
CB B:ILE1165 4.5 154.9 1.0
N B:CYS1185 4.5 196.9 1.0
CB B:THR1170 4.7 135.2 1.0
CA B:CYS1182 4.8 155.0 1.0
OG1 B:THR1170 4.8 143.6 1.0
O B:LYS1183 4.8 186.6 1.0
CA B:ILE1165 4.8 148.1 1.0
CA B:CYS1163 4.9 128.2 1.0
N B:ILE1165 5.0 143.1 1.0
CG2 B:THR1170 5.0 139.9 1.0

Zinc binding site 4 out of 8 in 8uks

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Zinc binding site 4 out of 8 in the Rna Polymerase II Elongation Complex with Fapy-Dg Lesion Soaking with Ctp Before Chemistry


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Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Rna Polymerase II Elongation Complex with Fapy-Dg Lesion Soaking with Ctp Before Chemistry within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn401

b:119.3
occ:1.00
SG C:CYS86 2.3 87.3 1.0
SG C:CYS92 2.3 72.0 1.0
SG C:CYS88 2.3 84.4 1.0
SG C:CYS95 2.3 129.0 1.0
N C:CYS92 2.7 96.4 1.0
CB C:CYS92 2.9 93.1 1.0
CB C:CYS95 3.1 107.2 1.0
CA C:CYS92 3.3 92.0 1.0
CB C:CYS88 3.3 76.3 1.0
CB C:CYS86 3.4 86.1 1.0
C C:HIS91 3.7 117.5 1.0
CA C:HIS91 4.1 98.4 1.0
C C:CYS92 4.1 70.4 1.0
N C:CYS88 4.2 79.1 1.0
O C:CYS92 4.2 71.4 1.0
N C:CYS95 4.2 98.3 1.0
CA C:CYS95 4.3 99.8 1.0
CA C:CYS88 4.4 78.8 1.0
O C:HIS91 4.6 124.0 1.0
CA C:CYS86 4.7 103.5 1.0
N C:HIS91 4.8 111.9 1.0
N C:PHE87 4.9 103.8 1.0
C C:CYS86 4.9 98.2 1.0
OG C:SER96 4.9 95.8 1.0
O C:ASP90 4.9 101.7 1.0

Zinc binding site 5 out of 8 in 8uks

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Zinc binding site 5 out of 8 in the Rna Polymerase II Elongation Complex with Fapy-Dg Lesion Soaking with Ctp Before Chemistry


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Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Rna Polymerase II Elongation Complex with Fapy-Dg Lesion Soaking with Ctp Before Chemistry within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Zn201

b:125.0
occ:1.00
SG I:CYS10 2.3 189.5 1.0
SG I:CYS7 2.3 100.0 1.0
SG I:CYS32 2.3 208.2 1.0
SG I:CYS29 2.3 133.4 1.0
CB I:CYS32 3.0 188.1 1.0
N I:CYS32 3.1 180.1 1.0
CB I:CYS7 3.2 100.6 1.0
CB I:CYS10 3.3 118.4 1.0
CA I:CYS32 3.6 180.2 1.0
CB I:CYS29 3.6 111.0 1.0
CB I:THR31 3.7 125.8 1.0
C I:THR31 4.0 139.0 1.0
N I:CYS10 4.0 103.0 1.0
CA I:CYS10 4.2 122.5 1.0
CG2 I:THR31 4.2 125.1 1.0
CA I:THR31 4.3 126.0 1.0
O I:CYS32 4.3 181.3 1.0
C I:CYS32 4.4 180.3 1.0
N I:THR31 4.5 128.1 1.0
CA I:CYS7 4.5 101.4 1.0
OG1 I:THR31 4.7 145.8 1.0
C I:CYS10 4.8 124.6 1.0
N I:ASN11 4.9 115.3 1.0
C I:CYS7 4.9 113.1 1.0
O I:THR31 4.9 152.7 1.0

Zinc binding site 6 out of 8 in 8uks

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Zinc binding site 6 out of 8 in the Rna Polymerase II Elongation Complex with Fapy-Dg Lesion Soaking with Ctp Before Chemistry


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Rna Polymerase II Elongation Complex with Fapy-Dg Lesion Soaking with Ctp Before Chemistry within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Zn202

b:152.1
occ:1.00
SG I:CYS78 2.3 153.9 1.0
SG I:CYS103 2.3 180.4 1.0
SG I:CYS75 2.3 189.2 1.0
SG I:CYS106 2.3 207.0 1.0
O I:SER105 3.3 175.6 1.0
CB I:HIS108 3.4 149.1 1.0
CB I:CYS103 3.4 158.3 1.0
CB I:CYS78 3.5 175.7 1.0
CB I:CYS75 3.5 148.5 1.0
CB I:CYS106 3.5 178.3 1.0
N I:CYS78 3.6 163.3 1.0
CA I:CYS78 4.0 168.8 1.0
OG I:SER80 4.1 170.0 1.0
CB I:SER80 4.2 155.1 1.0
ND1 I:HIS108 4.2 156.4 1.0
CG I:HIS108 4.2 150.3 1.0
N I:HIS108 4.3 147.1 1.0
C I:SER105 4.4 167.8 1.0
CA I:HIS108 4.4 147.4 1.0
CG I:LYS77 4.4 159.0 1.0
N I:SER80 4.5 168.5 1.0
C I:CYS78 4.5 158.8 1.0
N I:HIS79 4.5 157.7 1.0
CA I:CYS106 4.6 166.5 1.0
CB I:LYS77 4.6 158.5 1.0
C I:CYS106 4.7 165.4 1.0
C I:LYS77 4.7 160.7 1.0
CA I:CYS103 4.8 141.9 1.0
CA I:CYS75 4.9 150.0 1.0
N I:CYS106 4.9 165.5 1.0
O I:HIS108 4.9 157.7 1.0
CA I:SER80 5.0 163.1 1.0
N I:SER107 5.0 149.7 1.0
O I:CYS75 5.0 166.0 1.0

Zinc binding site 7 out of 8 in 8uks

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Zinc binding site 7 out of 8 in the Rna Polymerase II Elongation Complex with Fapy-Dg Lesion Soaking with Ctp Before Chemistry


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Rna Polymerase II Elongation Complex with Fapy-Dg Lesion Soaking with Ctp Before Chemistry within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Zn101

b:93.2
occ:1.00
SG J:CYS45 2.3 137.5 1.0
SG J:CYS10 2.3 132.2 1.0
SG J:CYS7 2.3 52.8 1.0
SG J:CYS46 2.3 53.8 1.0
N J:CYS46 3.1 89.3 1.0
OG J:SER9 3.3 63.0 1.0
CB J:CYS7 3.3 71.2 1.0
CB J:CYS45 3.3 87.3 1.0
CB J:CYS10 3.4 48.6 1.0
CB J:CYS46 3.6 96.9 1.0
CA J:CYS46 3.7 91.2 1.0
C J:CYS45 3.8 84.5 1.0
N J:CYS10 3.9 67.2 1.0
NE J:ARG43 3.9 102.8 1.0
CA J:CYS45 4.1 65.5 1.0
NH2 J:ARG43 4.2 106.0 1.0
CA J:CYS10 4.2 71.9 1.0
CZ J:ARG43 4.5 105.1 1.0
CB J:ARG43 4.5 86.8 1.0
CB J:SER9 4.6 63.6 1.0
O J:CYS45 4.6 77.2 1.0
N J:CYS45 4.7 56.8 1.0
CA J:CYS7 4.7 86.7 1.0
CD J:ARG43 4.8 85.8 1.0
C J:SER9 4.9 52.5 1.0

Zinc binding site 8 out of 8 in 8uks

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Zinc binding site 8 out of 8 in the Rna Polymerase II Elongation Complex with Fapy-Dg Lesion Soaking with Ctp Before Chemistry


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Rna Polymerase II Elongation Complex with Fapy-Dg Lesion Soaking with Ctp Before Chemistry within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Zn101

b:310.2
occ:1.00
SG L:CYS34 2.3 335.7 1.0
SG L:CYS48 2.3 279.5 1.0
SG L:CYS51 2.3 321.6 1.0
SG L:CYS31 2.3 255.6 1.0
CB L:CYS34 3.2 311.6 1.0
CB L:CYS51 3.3 330.5 1.0
CB L:CYS31 3.5 204.8 1.0
N L:CYS34 3.5 310.1 1.0
O L:HIS53 3.7 212.6 1.0
CA L:CYS34 4.0 311.8 1.0
CB L:CYS48 4.0 255.5 1.0
O L:CYS51 4.2 307.7 1.0
CA L:CYS51 4.2 333.1 1.0
C L:CYS51 4.3 316.0 1.0
N L:CYS51 4.6 333.9 1.0
C L:CYS31 4.6 236.8 1.0
O L:CYS31 4.6 256.4 1.0
C L:GLU33 4.6 242.7 1.0
CB L:GLU33 4.6 218.1 1.0
CA L:CYS31 4.6 203.9 1.0
N L:CYS48 4.6 232.6 1.0
C L:HIS53 4.7 208.4 1.0
N L:GLU33 4.7 224.1 1.0
N L:HIS53 4.7 217.3 1.0
CB L:HIS53 4.7 216.6 1.0
O L:ILE55 4.8 173.1 1.0
CA L:CYS48 4.9 249.5 1.0
CA L:GLU33 4.9 228.5 1.0
OD1 L:ASP50 4.9 299.7 1.0
O L:CYS48 4.9 264.9 1.0
CA L:HIS53 4.9 211.9 1.0

Reference:

S.Gao, P.Hou, J.Oh, D.Wang, M.M.Greenberg. Molecular Mechanism of Rna Polymerase II Transcriptional Mutagenesis By the Epimerizable Dna Lesion, Fapy·Dg. J.Am.Chem.Soc. V. 146 6274 2024.
ISSN: ESSN 1520-5126
PubMed: 38393762
DOI: 10.1021/JACS.3C14476
Page generated: Thu Oct 31 12:19:14 2024

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