Zinc in PDB 7qgs: Crystal Structure of P300 CH1 Domain in Complex with Citif (A CITED2- Hif-1ALPHA Hybrid)

All present enzymatic activity of Crystal Structure of P300 CH1 Domain in Complex with Citif (A CITED2- Hif-1ALPHA Hybrid):
2.3.1.48;

The structure of Crystal Structure of P300 CH1 Domain in Complex with Citif (A CITED2- Hif-1ALPHA Hybrid), PDB code: 7qgs was solved by Z.Hegedus, A.J.Wilson, T.A.Edwards, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.66 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	30.505, 48.599, 39.825, 90, 103.87, 90
R / Rfree (%)	22.1 / 24.5

The binding sites of Zinc atom in the Crystal Structure of P300 CH1 Domain in Complex with Citif (A CITED2- Hif-1ALPHA Hybrid) (pdb code 7qgs). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Crystal Structure of P300 CH1 Domain in Complex with Citif (A CITED2- Hif-1ALPHA Hybrid), PDB code: 7qgs:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Crystal Structure of P300 CH1 Domain in Complex with Citif (A CITED2- Hif-1ALPHA Hybrid)


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 P300 CH1 Domain in Complex with Citif (A CITED2- Hif-1ALPHA Hybrid) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn501 b:54.1 occ:0.78 SG A:CYS369 2.3 44.6 1.0 CE1 A:HIS347 2.3 53.2 1.0 SG A:CYS364 2.3 57.2 1.0 SG A:CYS351 2.4 51.8 1.0 CB A:CYS364 2.8 66.3 1.0 ND1 A:HIS347 3.2 55.3 1.0 CB A:CYS369 3.3 43.1 1.0 CB A:CYS351 3.3 50.5 1.0 NE2 A:HIS347 3.3 51.7 1.0 NZ A:LYS373 3.9 53.2 1.0 CA A:CYS364 4.3 67.1 1.0 CG A:HIS347 4.4 46.1 1.0 CE A:LYS373 4.4 44.0 1.0 CB A:LEU366 4.4 51.1 1.0 CD2 A:HIS347 4.4 48.1 1.0 CA A:CYS369 4.7 34.4 1.0 CA A:CYS351 4.8 52.1 1.0 C A:CYS364 4.8 65.9 1.0 O A:CYS364 4.9 67.7 1.0

Zinc binding site 2 out of 3 in the Crystal Structure of P300 CH1 Domain in Complex with Citif (A CITED2- Hif-1ALPHA Hybrid)


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 P300 CH1 Domain in Complex with Citif (A CITED2- Hif-1ALPHA Hybrid) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn502 b:59.5 occ:0.78 SG A:CYS388 2.0 51.3 1.0 SG A:CYS382 2.3 71.6 1.0 NE2 A:HIS378 2.3 49.8 1.0 SG A:CYS393 2.8 58.2 1.0 CD2 A:HIS378 3.0 46.9 1.0 CB A:CYS388 3.1 64.4 1.0 CE1 A:HIS378 3.4 56.5 1.0 CB A:CYS382 3.5 67.2 1.0 CB A:CYS393 3.8 53.0 1.0 CG A:HIS378 4.2 55.7 1.0 ND1 A:HIS378 4.3 57.7 1.0 NH2 A:ARG397 4.3 78.4 1.0 CG2 A:VAL390 4.4 59.2 1.0 CA A:CYS388 4.4 69.6 1.0 CB A:VAL390 4.5 58.8 1.0 CB A:SER384 4.5 91.9 1.0 CA A:CYS382 4.8 68.5 1.0

Zinc binding site 3 out of 3 in the Crystal Structure of P300 CH1 Domain in Complex with Citif (A CITED2- Hif-1ALPHA Hybrid)


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 P300 CH1 Domain in Complex with Citif (A CITED2- Hif-1ALPHA Hybrid) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn503 b:58.5 occ:0.82 NE2 A:HIS402 2.3 56.3 1.0 SG A:CYS406 2.3 78.7 1.0 SG A:CYS411 2.3 69.9 1.0 SG A:CYS414 2.5 68.0 1.0 CB A:CYS406 2.9 80.7 1.0 CD2 A:HIS402 3.0 52.4 1.0 CB A:CYS411 3.1 85.8 1.0 CE1 A:HIS402 3.3 59.5 1.0 CB A:CYS414 3.3 68.2 1.0 N A:CYS414 3.9 63.3 1.0 CG A:HIS402 4.2 56.4 1.0 ND1 A:HIS402 4.3 60.8 1.0 CA A:CYS414 4.3 67.5 1.0 CA A:CYS406 4.4 88.2 1.0 CB A:VAL413 4.5 68.2 1.0 CA A:CYS411 4.6 87.3 1.0 CG1 A:VAL413 4.8 62.3 1.0 C A:VAL413 4.9 69.6 1.0 O A:HIS402 4.9 61.7 1.0

F.Hobor, Z.Hegedus, A.A.Ibarra, V.L.Petrovicz, G.J.Bartlett, R.B.Sessions, A.J.Wilson, T.A.Edwards. Understanding P300-Transcription Factor Interactions Using Sequence Variation and Hybridization. Rsc Chem Biol V. 3 592 2022.
ISSN: ESSN 2633-0679
PubMed: 35656479
DOI: 10.1039/D2CB00026A