Zinc in PDB 8cmz: Crystal Structure of Crebbp-R1446C Histone Acetyltransferase Domain in Complex with Coenzyme A

All present enzymatic activity of Crystal Structure of Crebbp-R1446C Histone Acetyltransferase Domain in Complex with Coenzyme A:
2.3.1.48;

The structure of Crystal Structure of Crebbp-R1446C Histone Acetyltransferase Domain in Complex with Coenzyme A, PDB code: 8cmz 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)	53.76 / 2.25
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	87.181, 145.095, 154.783, 90, 90, 90
R / Rfree (%)	23.9 / 29.7

The binding sites of Zinc atom in the Crystal Structure of Crebbp-R1446C Histone Acetyltransferase Domain in Complex with Coenzyme A (pdb code 8cmz). 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 Coenzyme A, PDB code: 8cmz:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of Crebbp-R1446C Histone Acetyltransferase Domain in Complex with Coenzyme A


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 Coenzyme A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1801 b:56.2 occ:1.00 SG A:CYS1200 2.3 76.7 1.0 ND1 A:HIS1291 2.3 36.2 1.0 SG A:CYS1294 2.4 64.7 1.0 SG A:CYS1199 2.4 79.2 1.0 CB A:CYS1200 3.0 53.8 1.0 N A:CYS1200 3.1 77.7 1.0 CB A:CYS1199 3.1 45.2 1.0 CG A:HIS1291 3.2 49.7 1.0 CB A:CYS1294 3.3 36.3 1.0 CE1 A:HIS1291 3.4 41.9 1.0 CB A:HIS1291 3.4 67.7 1.0 CA A:CYS1200 3.7 55.1 1.0 C A:CYS1199 3.8 67.5 1.0 CA A:CYS1199 4.0 49.1 1.0 CD2 A:HIS1291 4.4 43.0 1.0 NE2 A:HIS1291 4.4 53.0 1.0 N A:HIS1291 4.5 53.5 1.0 C A:CYS1200 4.5 33.8 1.0 CA A:HIS1291 4.6 60.6 1.0 CH2 A:TRP1151 4.6 41.7 1.0 CE2 A:TYR1204 4.7 33.4 1.0 NH2 A:ARG1682 4.7 29.0 1.0 O A:CYS1199 4.7 60.9 1.0 N A:CYS1199 4.7 50.6 1.0 CA A:CYS1294 4.8 45.1 1.0 O A:CYS1200 4.8 37.0 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of Crebbp-R1446C Histone Acetyltransferase Domain in Complex with Coenzyme A


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 Coenzyme A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1802 b:78.7 occ:1.00 SG A:CYS1286 2.1 80.9 1.0 SG A:CYS1283 2.4 90.7 1.0 SG A:CYS1311 2.5 87.7 1.0 SG A:CYS1308 2.6 77.7 1.0 CB A:CYS1308 2.7 57.4 1.0 CB A:CYS1311 3.2 74.2 1.0 CB A:CYS1286 3.4 69.4 1.0 CB A:CYS1283 3.4 59.0 1.0 N A:CYS1308 3.4 83.4 1.0 N A:CYS1286 3.6 83.1 1.0 CA A:CYS1308 3.6 67.7 1.0 CA A:CYS1286 4.0 67.2 1.0 N A:CYS1311 4.3 69.5 1.0 CA A:CYS1311 4.4 67.2 1.0 C A:CYS1308 4.4 76.0 1.0 C A:VAL1307 4.7 87.5 1.0 C A:GLU1285 4.7 72.2 1.0 CB A:GLU1285 4.7 69.3 1.0 CA A:CYS1283 4.8 51.5 1.0 CG A:ARG1288 5.0 63.9 1.0 CD A:ARG1288 5.0 62.7 1.0 O A:CYS1308 5.0 82.0 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of Crebbp-R1446C Histone Acetyltransferase Domain in Complex with Coenzyme A


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 Coenzyme A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1803 b:162.7 occ:1.00 SG A:CYS1729 2.4 183.9 1.0 CB A:CYS1729 2.6 170.1 1.0 SG A:CYS1710 2.7 148.6 1.0 SG A:CYS1707 3.3 143.4 1.0 CB A:CYS1710 3.5 153.8 1.0 CA A:CYS1729 4.0 155.2 1.0 CB A:ASN1731 4.2 150.8 1.0 N A:CYS1729 4.2 156.2 1.0 N A:CYS1710 4.3 155.8 1.0 CB A:CYS1707 4.5 139.9 1.0 CA A:CYS1710 4.6 154.6 1.0 ND2 A:ASN1731 4.7 148.2 1.0 CB A:GLU1709 4.8 155.1 1.0 ND1 A:HIS1712 4.9 149.9 1.0 C A:ASN1731 4.9 152.4 1.0 CG A:ASN1731 4.9 148.4 1.0 CA A:ASN1731 4.9 149.8 1.0 N A:ASN1731 4.9 153.0 1.0 CG A:GLU1709 5.0 159.2 1.0 N A:CYS1732 5.0 150.6 1.0 C A:CYS1729 5.0 143.6 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of Crebbp-R1446C Histone Acetyltransferase Domain in Complex with Coenzyme A


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 Coenzyme A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1804 b:211.4 occ:1.00 ND1 A:HIS1740 1.9 208.3 1.0 CG1 A:VAL1722 2.3 142.3 1.0 SG A:CYS1723 2.6 146.4 1.0 NE2 A:HIS1738 2.6 182.5 1.0 CE1 A:HIS1740 2.8 212.2 1.0 CG A:HIS1740 3.1 205.3 1.0 CB A:CYS1720 3.3 182.9 1.0 CD2 A:HIS1738 3.5 183.8 1.0 CB A:HIS1740 3.6 194.7 1.0 CE1 A:HIS1738 3.6 189.5 1.0 CB A:VAL1722 3.7 149.0 1.0 NE2 A:HIS1740 3.9 214.5 1.0 CD1 A:TYR1726 3.9 140.5 1.0 CG A:TYR1726 4.0 138.5 1.0 N A:CYS1723 4.0 132.9 1.0 CD2 A:HIS1740 4.1 212.3 1.0 CB A:CYS1723 4.1 136.4 1.0 CE1 A:TYR1726 4.1 147.7 1.0 CG2 A:VAL1722 4.1 158.9 1.0 CD2 A:TYR1726 4.2 142.4 1.0 CZ A:TYR1726 4.3 144.9 1.0 CE2 A:TYR1726 4.4 145.5 1.0 SG A:CYS1720 4.4 198.3 1.0 CA A:CYS1720 4.4 165.1 1.0 CB A:TYR1726 4.5 136.0 1.0 CA A:VAL1722 4.6 143.0 1.0 CA A:CYS1723 4.7 133.6 1.0 CG A:HIS1738 4.7 184.5 1.0 ND1 A:HIS1738 4.7 191.1 1.0 C A:VAL1722 4.8 137.3 1.0 N A:VAL1722 4.8 151.5 1.0 CA A:HIS1740 4.9 192.8 1.0

A.E.Mechaly, W.Zhang, A.Haouz, M.Green, F.Rodrigues-Lima. Crystal Structure of Crebbp-R1446C Histone Acetyltransferase Domain in Complex with Coenzyme A To Be Published.