Chlorine in PDB 7ucd: Transcription Factor Fosb/Jund Bzip Domain Covalently Modified with the Cysteine-Targeting Alpha-Haloketone Compound Z2159931480

The structure of Transcription Factor Fosb/Jund Bzip Domain Covalently Modified with the Cysteine-Targeting Alpha-Haloketone Compound Z2159931480, PDB code: 7ucd was solved by A.Kumar, M.C.Machius, G.Rudenko, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.05 / 3.21
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	48.26, 67.67, 122.943, 90, 90, 90
R / Rfree (%)	28 / 33

The binding sites of Chlorine atom in the Transcription Factor Fosb/Jund Bzip Domain Covalently Modified with the Cysteine-Targeting Alpha-Haloketone Compound Z2159931480 (pdb code 7ucd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Transcription Factor Fosb/Jund Bzip Domain Covalently Modified with the Cysteine-Targeting Alpha-Haloketone Compound Z2159931480, PDB code: 7ucd:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Transcription Factor Fosb/Jund Bzip Domain Covalently Modified with the Cysteine-Targeting Alpha-Haloketone Compound Z2159931480


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Transcription Factor Fosb/Jund Bzip Domain Covalently Modified with the Cysteine-Targeting Alpha-Haloketone Compound Z2159931480 within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl302 b:22.9 occ:0.50 HE F:ARG177 2.9 0.0 1.0 HH21 F:ARG177 3.0 5.3 1.0 NE F:ARG177 3.5 31.0 1.0 NH2 F:ARG177 3.6 32.3 1.0 HG2 F:ARG177 3.9 5.0 1.0 CZ F:ARG177 4.0 31.9 1.0 HH22 F:ARG177 4.3 5.3 1.0 CD F:ARG177 4.6 30.7 1.0 CG F:ARG177 4.6 30.0 1.0 HD3 F:ARG177 4.7 2.4 1.0 HG3 F:ARG177 4.8 5.0 1.0

Chlorine binding site 2 out of 4 in the Transcription Factor Fosb/Jund Bzip Domain Covalently Modified with the Cysteine-Targeting Alpha-Haloketone Compound Z2159931480


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Transcription Factor Fosb/Jund Bzip Domain Covalently Modified with the Cysteine-Targeting Alpha-Haloketone Compound Z2159931480 within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl303 b:34.6 occ:1.00 OD2 F:ASP181 3.6 27.5 1.0 CG F:ASP181 4.2 27.1 1.0 OD1 F:ASP181 4.6 27.0 1.0 HB3 F:ASP181 4.8 15.0 1.0

Chlorine binding site 3 out of 4 in the Transcription Factor Fosb/Jund Bzip Domain Covalently Modified with the Cysteine-Targeting Alpha-Haloketone Compound Z2159931480


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Transcription Factor Fosb/Jund Bzip Domain Covalently Modified with the Cysteine-Targeting Alpha-Haloketone Compound Z2159931480 within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl304 b:35.0 occ:1.00 HH22 F:ARG177 4.0 5.3 1.0 HH21 F:ARG177 4.2 5.3 1.0 NH2 F:ARG177 4.4 32.3 1.0

Chlorine binding site 4 out of 4 in the Transcription Factor Fosb/Jund Bzip Domain Covalently Modified with the Cysteine-Targeting Alpha-Haloketone Compound Z2159931480


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Transcription Factor Fosb/Jund Bzip Domain Covalently Modified with the Cysteine-Targeting Alpha-Haloketone Compound Z2159931480 within 5.0Å range: probe atom residue distance (Å) B Occ J:Cl401 b:47.7 occ:1.00 HD21 J:ASN278 2.6 87.7 1.0 HE2 J:LYS274 2.9 88.4 1.0 ND2 J:ASN278 3.2 43.6 1.0 OD1 J:ASN278 3.2 45.6 1.0 HZ1 J:LYS274 3.5 76.5 1.0 CG J:ASN278 3.5 44.5 1.0 CE J:LYS274 3.6 44.1 1.0 HE3 J:LYS274 3.7 88.4 1.0 HD22 J:ASN278 3.8 87.7 1.0 NZ J:LYS274 3.9 43.2 1.0 HZ3 J:LYS274 4.1 76.5 1.0 HH22 J:ARG277 4.6 66.0 1.0 HZ2 J:LYS274 4.8 76.5 1.0 HG2 J:LYS274 4.8 113.0 1.0 CD J:LYS274 4.9 45.4 1.0 CB J:ASN278 5.0 44.2 1.0

A.Kumar, G.Aglyamova, Y.Y.Yim, A.O.Bailey, H.M.Lynch, R.T.Powell, N.D.Nguyen, Z.Rosenthal, W.N.Zhao, Y.Li, J.Chen, S.Fan, H.Lee, W.K.Russell, C.Stephan, A.J.Robison, S.J.Haggarty, E.J.Nestler, J.Zhou, M.Machius, G.Rudenko. Chemically Targeting the Redox Switch in AP1 Transcription Factor Delta Fosb. Nucleic Acids Res. V. 50 9548 2022.
ISSN: ESSN 1362-4962
PubMed: 36039764
DOI: 10.1093/NAR/GKAC710