Chlorine in PDB 5afw: Assembly of Methylated LSD1 and CHD1 Drives Ar-Dependent Transcription and Translocation

All present enzymatic activity of Assembly of Methylated LSD1 and CHD1 Drives Ar-Dependent Transcription and Translocation:
3.6.4.12;

The structure of Assembly of Methylated LSD1 and CHD1 Drives Ar-Dependent Transcription and Translocation, PDB code: 5afw was solved by E.Metzger, D.Willmann, J.Mcmillan, K.Petroll, P.Metzger, S.Gerhardt, A.Vonmaessenhausen, A.K.Schott, A.Espejo, A.Eberlin, D.Wohlwend, K.M.Schuele, M.Schleicher, S.Perner, M.T.Bedford, J.Dengjel, R.Flaig, O.Einsle, R.Schuele, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.19 / 1.60
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	110.296, 44.445, 46.194, 90.00, 90.00, 90.00
R / Rfree (%)	20.94 / 22.69

The binding sites of Chlorine atom in the Assembly of Methylated LSD1 and CHD1 Drives Ar-Dependent Transcription and Translocation (pdb code 5afw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Assembly of Methylated LSD1 and CHD1 Drives Ar-Dependent Transcription and Translocation, PDB code: 5afw:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Assembly of Methylated LSD1 and CHD1 Drives Ar-Dependent Transcription and Translocation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Assembly of Methylated LSD1 and CHD1 Drives Ar-Dependent Transcription and Translocation within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1460 b:0.0 occ:1.00 O A:ALA403 3.7 61.9 1.0 O A:ALA404 3.8 55.3 1.0 C A:ALA404 3.8 55.7 1.0 N A:GLY405 4.0 49.0 1.0 CA A:GLY405 4.3 49.4 1.0 CA A:ALA404 4.3 54.5 1.0 C A:ALA403 4.7 58.4 1.0 N A:ALA404 5.0 53.7 1.0

Chlorine binding site 2 out of 3 in the Assembly of Methylated LSD1 and CHD1 Drives Ar-Dependent Transcription and Translocation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Assembly of Methylated LSD1 and CHD1 Drives Ar-Dependent Transcription and Translocation within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1462 b:84.4 occ:1.00 O A:HOH2085 3.3 53.5 1.0 O A:ALA404 3.4 55.3 1.0 CZ A:TYR406 3.8 55.1 1.0 CE1 A:TYR406 4.0 48.6 1.0 O A:GLY405 4.0 48.5 1.0 CE2 A:TYR406 4.0 49.5 1.0 OH A:TYR406 4.2 57.6 1.0 C A:GLY405 4.2 49.2 1.0 CD2 A:TYR406 4.3 46.9 1.0 CD1 A:TYR406 4.3 45.4 1.0 CG A:TYR406 4.5 43.9 1.0 C A:ALA404 4.5 55.7 1.0 O A:HOH2083 4.5 62.9 1.0 CA A:GLY405 4.5 49.4 1.0 N A:TYR406 4.8 41.6 1.0 O A:HOH2088 4.9 69.3 1.0 N A:GLY405 5.0 49.0 1.0

Chlorine binding site 3 out of 3 in the Assembly of Methylated LSD1 and CHD1 Drives Ar-Dependent Transcription and Translocation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Assembly of Methylated LSD1 and CHD1 Drives Ar-Dependent Transcription and Translocation within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1464 b:91.1 occ:1.00 O A:TYR440 3.7 52.0 1.0 CZ A:TYR440 4.0 46.0 1.0 OH A:TYR440 4.2 44.8 1.0 CE2 A:TYR440 4.2 43.9 1.0 CE1 A:TYR440 4.3 41.0 1.0 CD1 A:PHE441 4.5 56.8 1.0 C A:TYR440 4.7 51.7 1.0 CD2 A:TYR440 4.7 43.6 1.0 CD1 A:TYR440 4.7 39.3 1.0 CA A:PHE441 4.8 53.2 1.0 CE1 A:PHE441 4.8 56.1 1.0 CG A:TYR440 5.0 41.6 1.0

E.Metzger, D.Willmann, J.Mcmillan, I.Forne, P.Metzger, S.Gerhardt, K.Petroll, A.Von Maessenhausen, S.Urban, A.Schott, A.Espejo, A.Eberlin, D.Wohlwend, K.M.Schule, M.Schleicher, S.Perner, M.T.Bedford, M.Jung, J.Dengjel, R.Flaig, A.Imhof, O.Einsle, R.Schule. Assembly of Methylated KDM1A and CHD1 Drives Androgen Receptor-Dependent Transcription and Translocation. Nat.Struct.Mol.Biol. V. 23 132 2016.
ISSN: ISSN 1545-9993
PubMed: 26751641
DOI: 10.1038/NSMB.3153