Iodine in PDB 4uj2: Protein Kinase A in Complex with An Inhibitor

All present enzymatic activity of Protein Kinase A in Complex with An Inhibitor:
2.7.11.11;

The structure of Protein Kinase A in Complex with An Inhibitor, PDB code: 4uj2 was solved by K.A.Alam, R.A.Engh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.33 / 2.02
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	71.813, 74.746, 79.131, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 20.9

The binding sites of Iodine atom in the Protein Kinase A in Complex with An Inhibitor (pdb code 4uj2). 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 Protein Kinase A in Complex with An Inhibitor, PDB code: 4uj2:

Iodine binding site 1 out of 1 in the Protein Kinase A in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Protein Kinase A in Complex with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:I1351 b:30.8 occ:0.00 ILA A:NVV1351 0.0 30.8 0.0 CAR A:NVV1351 2.1 25.8 1.0 O A:HOH2041 2.6 31.8 1.0 O A:HOH2040 2.6 37.0 1.0 CAJ A:NVV1351 3.0 26.3 1.0 CAE A:NVV1351 3.0 28.7 1.0 NZ A:LYS72 3.4 33.1 1.0 CAS A:NVV1351 4.3 24.7 1.0 CAD A:NVV1351 4.3 25.2 1.0 O A:HOH2039 4.4 29.8 1.0 OD1 A:ASP184 4.4 36.2 1.0 O A:HOH2106 4.6 30.3 1.0 CE A:LYS72 4.7 31.3 1.0 O A:HOH2028 4.7 40.4 1.0 CD A:LYS72 4.8 35.2 1.0 O A:HOH2030 4.8 31.8 1.0 CAF A:NVV1351 4.8 24.1 1.0 CG A:ASP184 4.9 31.2 1.0 CB A:ASP184 4.9 22.9 1.0 CA A:ASP184 5.0 19.4 1.0

B.S.Lauber, L.A.Hardegger, A.K.Asraful, B.A.Lund, O.Dumele, M.Harder, B.Kuhn, R.A.Engh, F.Diederich. Addressing the Glycine-Rich Loop of Protein Kinases By A Multi-Facetted Interaction Network: Inhibition of Pka and A Pkb Mimic. Chemistry V. 22 211 2016.
ISSN: ISSN 0947-6539
PubMed: 26578105
DOI: 10.1002/CHEM.201503552