Iodine in PDB 7b10: Crystal Structure of MLLT1 Yeats Domain T1 Mutant in Complex with Benzimidazole-Amide Based Compound 1

The structure of Crystal Structure of MLLT1 Yeats Domain T1 Mutant in Complex with Benzimidazole-Amide Based Compound 1, PDB code: 7b10 was solved by A.Chaikuad, X.Ni, 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)	43.20 / 1.92
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	91.111, 39.357, 53.111, 90, 125.58, 90
R / Rfree (%)	17.4 / 20.9

The binding sites of Iodine atom in the Crystal Structure of MLLT1 Yeats Domain T1 Mutant in Complex with Benzimidazole-Amide Based Compound 1 (pdb code 7b10). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Crystal Structure of MLLT1 Yeats Domain T1 Mutant in Complex with Benzimidazole-Amide Based Compound 1, PDB code: 7b10:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Crystal Structure of MLLT1 Yeats Domain T1 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 T1 Mutant in Complex with Benzimidazole-Amide Based Compound 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:I201 b:46.9 occ:0.50 I A:GKT201 0.0 46.9 0.5 I A:IOD202 1.7 62.4 0.5 C6 A:GKT201 2.1 42.0 0.5 C6 A:GKT201 2.2 32.6 0.5 C1 A:GKT201 3.0 42.6 0.5 C5 A:GKT201 3.0 42.4 0.5 C1 A:GKT201 3.1 35.3 0.5 C5 A:GKT201 3.1 36.6 0.5 C A:GKT201 3.3 43.2 0.5 C A:GKT201 3.4 35.2 0.5 CE1 A:HIS56 3.6 41.7 1.0 NE2 A:HIS56 3.9 37.8 1.0 C2 A:GKT201 4.3 42.7 0.5 C4 A:GKT201 4.4 38.6 0.5 C2 A:GKT201 4.4 35.3 0.5 ND1 A:HIS56 4.4 36.0 1.0 C4 A:GKT201 4.5 33.1 0.5 OG A:SER58 4.8 37.4 1.0 C3 A:GKT201 4.9 39.0 0.5 CD2 A:HIS56 4.9 39.5 1.0 C3 A:GKT201 5.0 34.0 0.5 CB A:SER58 5.0 38.8 1.0

Iodine binding site 2 out of 2 in the Crystal Structure of MLLT1 Yeats Domain T1 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 2 of Crystal Structure of MLLT1 Yeats Domain T1 Mutant in Complex with Benzimidazole-Amide Based Compound 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:I202 b:62.4 occ:0.50 I A:GKT201 1.7 46.9 0.5 C6 A:GKT201 3.0 42.0 0.5 C6 A:GKT201 3.1 32.6 0.5 C5 A:GKT201 3.2 42.4 0.5 C5 A:GKT201 3.3 36.6 0.5 CE1 A:HIS56 3.8 41.7 1.0 CB A:SER58 3.9 38.8 1.0 OG A:SER58 4.1 37.4 1.0 C1 A:GKT201 4.2 42.6 0.5 C1 A:GKT201 4.4 35.3 0.5 ND1 A:HIS56 4.5 36.0 1.0 C4 A:GKT201 4.6 38.6 0.5 NE2 A:HIS56 4.6 37.8 1.0 C4 A:GKT201 4.7 33.1 0.5 C A:GKT201 4.8 43.2 0.5 C A:GKT201 4.9 35.2 0.5

A.Chaikuad, X.Ni, S.Knapp, Structural Genomics Consortium (Sgc). Crystal Structure of MLLT1 Yeats Domain T1 Mutant in Complex with Benzimidazole-Amide Based Compound 1 To Be Published.