Chlorine in PDB 6hpx: Crystal Structure of Enl (MLLT1) in Complex with Compound 19

The structure of Crystal Structure of Enl (MLLT1) in Complex with Compound 19, PDB code: 6hpx was solved by D.Heidenreich, A.Chaikuad, C.H.Arrowsmith, A.M.Edwards, C.Bountra, 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)	45.61 / 2.30
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	48.350, 48.350, 137.415, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 26.1

The binding sites of Chlorine atom in the Crystal Structure of Enl (MLLT1) in Complex with Compound 19 (pdb code 6hpx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Enl (MLLT1) in Complex with Compound 19, PDB code: 6hpx:

Chlorine binding site 1 out of 1 in the Crystal Structure of Enl (MLLT1) in Complex with Compound 19


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Enl (MLLT1) in Complex with Compound 19 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:57.6 occ:1.00 CL A:GKQ205 0.0 57.6 1.0 C16 A:GKQ205 1.7 60.1 1.0 C15 A:GKQ205 2.7 55.8 1.0 C19 A:GKQ205 2.7 59.1 1.0 C18 A:GKQ205 4.0 57.5 1.0 C14 A:GKQ205 4.0 57.6 1.0 CB A:SER58 4.3 51.1 1.0 O A:SER58 4.5 46.2 1.0 C17 A:GKQ205 4.5 58.1 1.0 CE2 A:TYR78 4.8 43.2 1.0 OG A:SER58 4.9 52.0 1.0 CA A:SER58 5.0 50.5 1.0

D.Heidenreich, M.Moustakim, J.Schmidt, D.Merk, P.E.Brennan, O.Fedorov, A.Chaikuad, S.Knapp. Structure-Based Approach Toward Identification of Inhibitory Fragments For Eleven-Nineteen-Leukemia Protein (Enl). J.Med.Chem. V. 61 10929 2018.
ISSN: ISSN 0022-2623
PubMed: 30407816
DOI: 10.1021/ACS.JMEDCHEM.8B01457