Iodine in PDB 7b0t: Crystal Structure of MLLT1 Yeats Domain T3 Mutant in Complex with Benzimidazole-Amide Based Compound 1

The structure of Crystal Structure of MLLT1 Yeats Domain T3 Mutant in Complex with Benzimidazole-Amide Based Compound 1, PDB code: 7b0t was solved by X.Ni, A.Chaikuad, P.E.Brennan, 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)	45.72 / 2.05
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	48.739, 48.739, 131.995, 90, 90, 90
R / Rfree (%)	21.8 / 27.6

The binding sites of Iodine atom in the Crystal Structure of MLLT1 Yeats Domain T3 Mutant in Complex with Benzimidazole-Amide Based Compound 1 (pdb code 7b0t). 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 Crystal Structure of MLLT1 Yeats Domain T3 Mutant in Complex with Benzimidazole-Amide Based Compound 1, PDB code: 7b0t:

Iodine binding site 1 out of 1 in the Crystal Structure of MLLT1 Yeats Domain T3 Mutant in Complex with Benzimidazole-Amide Based Compound 1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of MLLT1 Yeats Domain T3 Mutant in Complex with Benzimidazole-Amide Based Compound 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:I201 b:66.0 occ:0.50 I A:GKT201 0.0 66.0 0.5 C6 A:GKT201 2.1 67.6 1.0 C5 A:GKT201 3.1 61.7 1.0 C1 A:GKT201 3.1 64.4 1.0 C A:GKT201 3.3 64.7 1.0 NE2 A:HIS56 3.7 68.2 1.0 CE1 A:HIS56 4.3 69.1 1.0 C2 A:GKT201 4.4 68.1 1.0 C4 A:GKT201 4.4 63.2 1.0 CD2 A:HIS56 4.4 65.0 1.0 CE2 A:TYR78 4.4 85.4 1.0 C3 A:GKT201 4.9 64.0 1.0 OG A:SER58 5.0 59.8 1.0

X.Ni, A.Chaikuad, S.Knapp, Structural Genomics Consortium (Sgc). Crystal Structure of MLLT1 Yeats Domain T3 Mutant in Complex with Benzimidazole-Amide Based Compound 1 To Be Published.