Bromine in PDB 7oox: Crystal Structure of PIM1 in Complex with Arc-3126

All present enzymatic activity of Crystal Structure of PIM1 in Complex with Arc-3126:
2.7.11.1;

The structure of Crystal Structure of PIM1 in Complex with Arc-3126, PDB code: 7oox was solved by A.Chaikuad, S.E.Dixon-Clarke, O.E.Nonga, A.Uri, A.Bullock, S.Knapp, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.40 / 1.97
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	94.804, 94.804, 80.399, 90, 90, 120
R / Rfree (%)	17.9 / 22.2

The binding sites of Bromine atom in the Crystal Structure of PIM1 in Complex with Arc-3126 (pdb code 7oox). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of PIM1 in Complex with Arc-3126, PDB code: 7oox:

Bromine binding site 1 out of 1 in the Crystal Structure of PIM1 in Complex with Arc-3126


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of PIM1 in Complex with Arc-3126 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br1 b:36.1 occ:1.00 BR B:06E1 0.0 36.1 1.0 C40 B:06E1 1.9 25.2 1.0 C39 B:06E1 2.8 22.8 1.0 C41 B:06E1 2.9 24.5 1.0 CG A:ARG122 3.7 22.2 1.0 CD1 A:LEU174 3.8 21.2 1.0 CA A:ARG122 3.9 22.3 1.0 O B:HOH114 4.0 42.8 1.0 CB A:ARG122 4.0 21.8 1.0 CD A:ARG122 4.0 22.0 1.0 CD1 A:LEU44 4.1 27.8 1.0 O A:HOH743 4.1 47.4 1.0 C38 B:06E1 4.1 22.8 1.0 N20 B:06E1 4.1 23.7 1.0 CD A:PRO123 4.2 25.0 1.0 CG1 A:VAL126 4.3 25.8 1.0 O A:GLU121 4.4 20.9 1.0 CB A:ALA65 4.5 19.9 1.0 C42 B:06E1 4.6 23.5 1.0 C A:ARG122 4.6 21.4 1.0 CG2 A:VAL126 4.7 25.3 1.0 N A:PRO123 4.7 23.8 1.0 O A:PRO123 4.7 22.4 1.0 CB A:VAL126 5.0 25.7 1.0

O.E.Nonga, D.Lavogina, E.Enkvist, K.Kestav, A.Chaikuad, S.E.Dixon-Clarke, A.N.Bullock, S.Kopanchuk, T.Ivan, R.Ekambaram, K.Viht, S.Knapp, A.Uri. Crystal Structure-Guided Design of Bisubstrate Inhibitors and Photoluminescent Probes For Protein Kinases of the Pim Family. Molecules V. 26 2021.
ISSN: ESSN 1420-3049
PubMed: 34299628
DOI: 10.3390/MOLECULES26144353