Zinc in PDB 8cna: Crystal Structure of Crebbp-R1446C Histone Acetyltransferase Domain in Complex with A Bisubstrate Inhibitor, Lys-Coa

Enzymatic activity of Crystal Structure of Crebbp-R1446C Histone Acetyltransferase Domain in Complex with A Bisubstrate Inhibitor, Lys-Coa

All present enzymatic activity of Crystal Structure of Crebbp-R1446C Histone Acetyltransferase Domain in Complex with A Bisubstrate Inhibitor, Lys-Coa:
2.3.1.48;

Protein crystallography data

The structure of Crystal Structure of Crebbp-R1446C Histone Acetyltransferase Domain in Complex with A Bisubstrate Inhibitor, Lys-Coa, PDB code: 8cna was solved by A.E.Mechaly, W.Zhang, A.Haouz, M.Green, F.Rodrigues-Lima, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 72.25 / 2.46
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 86.825, 144.504, 154.62, 90, 90, 90
R / Rfree (%) 23.3 / 30.4

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Crebbp-R1446C Histone Acetyltransferase Domain in Complex with A Bisubstrate Inhibitor, Lys-Coa (pdb code 8cna). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of Crebbp-R1446C Histone Acetyltransferase Domain in Complex with A Bisubstrate Inhibitor, Lys-Coa, PDB code: 8cna:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 8cna

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Zinc binding site 1 out of 4 in the Crystal Structure of Crebbp-R1446C Histone Acetyltransferase Domain in Complex with A Bisubstrate Inhibitor, Lys-Coa


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Crebbp-R1446C Histone Acetyltransferase Domain in Complex with A Bisubstrate Inhibitor, Lys-Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1801

b:39.2
occ:1.00
 SG A:CYS1200 2.2 32.0 1.0
ND1 A:HIS1291 2.2 29.9 1.0
SG A:CYS1199 2.2 34.3 1.0
SG A:CYS1294 2.3 45.9 1.0
CG A:HIS1291 3.0 33.8 1.0
CB A:HIS1291 3.1 47.6 1.0
CB A:CYS1294 3.2 20.8 1.0
CE1 A:HIS1291 3.4 35.3 1.0
CB A:CYS1199 3.4 30.0 1.0
N A:CYS1200 3.5 44.5 1.0
CB A:CYS1200 3.5 29.1 1.0
C A:CYS1199 4.0 47.3 1.0
CA A:CYS1200 4.1 23.6 1.0
N A:HIS1291 4.2 38.6 1.0
CD2 A:HIS1291 4.2 33.6 1.0
CA A:HIS1291 4.3 42.8 1.0
CA A:CYS1199 4.3 37.8 1.0
NE2 A:HIS1291 4.4 30.7 1.0
CE2 A:TYR1204 4.4 36.0 1.0
NH2 A:ARG1682 4.5 24.6 1.0
CA A:CYS1294 4.6 27.7 1.0
C A:CYS1200 4.7 19.4 1.0
O A:CYS1200 4.7 30.5 1.0
O A:CYS1199 4.7 50.0 1.0
CH2 A:TRP1151 4.8 22.8 1.0
CD2 A:TYR1204 4.9 43.3 1.0

Zinc binding site 2 out of 4 in 8cna

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Zinc binding site 2 out of 4 in the Crystal Structure of Crebbp-R1446C Histone Acetyltransferase Domain in Complex with A Bisubstrate Inhibitor, Lys-Coa


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Crebbp-R1446C Histone Acetyltransferase Domain in Complex with A Bisubstrate Inhibitor, Lys-Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1802

b:64.7
occ:1.00
 SG A:CYS1311 2.1 65.3 1.0
SG A:CYS1308 2.1 67.0 1.0
SG A:CYS1283 2.4 52.1 1.0
SG A:CYS1286 2.7 53.9 1.0
CB A:CYS1311 2.9 55.3 1.0
CB A:CYS1286 3.2 50.5 1.0
CB A:CYS1308 3.3 54.1 1.0
CB A:CYS1283 3.6 52.3 1.0
N A:CYS1308 3.8 58.9 1.0
N A:CYS1286 3.8 62.8 1.0
CA A:CYS1311 4.1 49.9 1.0
N A:CYS1311 4.1 58.3 1.0
CA A:CYS1308 4.1 58.0 1.0
CA A:CYS1286 4.1 50.3 1.0
C A:GLU1285 4.5 59.9 1.0
NH1 A:ARG1288 4.6 62.5 1.0
CB A:GLU1285 4.6 47.5 1.0
C A:CYS1308 4.9 64.7 1.0
C A:VAL1307 4.9 58.2 1.0
CA A:GLU1285 5.0 43.0 1.0
CA A:CYS1283 5.0 49.1 1.0
N A:GLU1285 5.0 47.5 1.0
C A:CYS1286 5.0 47.5 1.0

Zinc binding site 3 out of 4 in 8cna

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Zinc binding site 3 out of 4 in the Crystal Structure of Crebbp-R1446C Histone Acetyltransferase Domain in Complex with A Bisubstrate Inhibitor, Lys-Coa


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Crebbp-R1446C Histone Acetyltransferase Domain in Complex with A Bisubstrate Inhibitor, Lys-Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1803

b:97.7
occ:1.00
 O A:CYS1729 2.5 114.4 1.0
SG A:CYS1710 2.6 125.0 1.0
CB A:CYS1710 2.9 115.7 1.0
CB A:CYS1729 3.4 107.7 1.0
C A:CYS1729 3.5 108.5 1.0
SG A:CYS1707 3.6 91.9 1.0
CD2 A:LEU1728 3.8 86.4 1.0
CA A:CYS1729 3.8 112.0 1.0
N A:CYS1710 4.0 112.5 1.0
N A:CYS1729 4.0 116.7 1.0
CA A:CYS1710 4.1 105.3 1.0
SG A:CYS1729 4.3 105.0 1.0
ND1 A:HIS1712 4.5 73.2 1.0
O A:ILE1730 4.6 74.1 1.0
CB A:ASN1731 4.7 87.6 1.0
C A:GLU1709 4.7 104.4 1.0
N A:ILE1730 4.8 95.5 1.0
CB A:GLU1709 4.8 81.9 1.0
CB A:CYS1707 4.8 96.1 1.0
C A:ILE1730 4.9 89.8 1.0
OD1 A:ASN1731 5.0 85.0 1.0

Zinc binding site 4 out of 4 in 8cna

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Zinc binding site 4 out of 4 in the Crystal Structure of Crebbp-R1446C Histone Acetyltransferase Domain in Complex with A Bisubstrate Inhibitor, Lys-Coa


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Crebbp-R1446C Histone Acetyltransferase Domain in Complex with A Bisubstrate Inhibitor, Lys-Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1804

b:125.0
occ:1.00
 ND1 A:HIS1740 1.9 203.8 1.0
CG A:HIS1740 2.3 198.2 1.0
SG A:CYS1723 2.3 109.4 1.0
SG A:CYS1720 2.5 134.2 1.0
CE1 A:HIS1740 2.7 205.3 1.0
CB A:HIS1740 2.8 185.1 1.0
CD2 A:HIS1740 3.1 202.2 1.0
NE2 A:HIS1738 3.2 107.9 1.0
CB A:CYS1720 3.3 120.9 1.0
NE2 A:HIS1740 3.3 203.6 1.0
CD2 A:TYR1726 3.5 78.0 1.0
CB A:CYS1723 3.6 98.0 1.0
CE1 A:HIS1738 3.8 109.4 1.0
CE2 A:TYR1726 4.2 77.9 1.0
N A:CYS1723 4.2 104.2 1.0
CA A:HIS1740 4.3 172.0 1.0
CD2 A:HIS1738 4.4 107.2 1.0
CG A:TYR1726 4.4 85.1 1.0
CA A:CYS1723 4.4 101.2 1.0
CB A:TYR1726 4.5 93.0 1.0
N A:HIS1740 4.6 166.0 1.0
CA A:CYS1720 4.7 106.2 1.0
CG1 A:VAL1722 4.8 85.4 1.0

Reference:

A.E.Mechaly, W.Zhang, A.Haouz, M.Green, F.Rodrigues-Lima. Crystal Structure of Crebbp-R1446C Histone Acetyltransferase Domain in Complex with A Bisubstrate Inhibitor, Lys-Coa To Be Published.
Page generated: Wed Oct 30 18:49:08 2024

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