Iodine in PDB 7f42: PARP15 Catalytic Domain in Complex with Iniparib

The structure of PARP15 Catalytic Domain in Complex with Iniparib, PDB code: 7f42 was solved by X.L.Zhou, H.Zhou, J.Li, J.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.88 / 1.41
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.307, 68.757, 158.382, 90, 90, 90
R / Rfree (%)	20.4 / 23

The binding sites of Iodine atom in the PARP15 Catalytic Domain in Complex with Iniparib (pdb code 7f42). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the PARP15 Catalytic Domain in Complex with Iniparib, PDB code: 7f42:

Iodine binding site 1 out of 1 in the PARP15 Catalytic Domain in Complex with Iniparib


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of PARP15 Catalytic Domain in Complex with Iniparib within 5.0Å range: probe atom residue distance (Å) B Occ A:I701 b:60.2 occ:1.00 IAE A:33E701 0.0 60.2 1.0 CAJ A:33E701 2.1 19.4 1.0 OAC A:33E701 2.9 28.3 1.0 CAF A:33E701 3.0 24.9 1.0 CAL A:33E701 3.1 26.0 1.0 NAM A:33E701 3.3 26.8 1.0 CD2 A:TYR591 3.6 17.9 1.0 OH A:TYR604 3.9 25.7 1.0 OH A:TYR598 4.0 39.6 1.0 O A:HOH912 4.0 29.6 1.0 CE2 A:TYR591 4.0 19.6 1.0 CE1 A:TYR598 4.0 31.6 1.0 CD2 A:LEU659 4.1 22.6 1.0 CAG A:33E701 4.3 19.2 1.0 CAH A:33E701 4.3 22.0 1.0 CZ A:TYR598 4.4 33.1 1.0 CG A:TYR591 4.4 16.9 1.0 CZ A:TYR604 4.6 24.4 1.0 OAD A:33E701 4.7 27.8 1.0 CB A:TYR591 4.8 15.3 1.0 CAK A:33E701 4.8 19.1 1.0

X.L.Zhou, H.Zhou, J.Li, J.Zhang. PARP15 Catalytic Domain in Complex with Iniparib To Be Published.