Chlorine in PDB 6akw: Crystal Structure of Rna Dioxygenase Bound with An Inhibitor

The structure of Crystal Structure of Rna Dioxygenase Bound with An Inhibitor, PDB code: 6akw was solved by C.-G.Yang, Y.Huang, J.Gan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.75 / 2.20
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	141.388, 141.388, 83.608, 90.00, 90.00, 120.00
R / Rfree (%)	21.2 / 25.4

The binding sites of Chlorine atom in the Crystal Structure of Rna Dioxygenase Bound with An Inhibitor (pdb code 6akw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Rna Dioxygenase Bound with An Inhibitor, PDB code: 6akw:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Rna Dioxygenase Bound with An Inhibitor


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 Rna Dioxygenase Bound with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:31.9 occ:0.78 CL1 A:8S3602 0.0 31.9 0.8 C02 A:8S3602 1.8 23.0 0.8 C03 A:8S3602 2.8 25.6 0.8 C13 A:8S3602 2.8 33.1 0.8 N14 A:8S3602 3.0 34.0 0.8 OG A:SER229 3.4 45.1 1.0 O23 A:8S3602 3.4 29.5 0.8 CB A:HIS231 3.8 15.3 1.0 C15 A:8S3602 3.8 40.2 0.8 O A:SER229 3.9 20.9 1.0 CG A:HIS231 3.9 19.8 1.0 ND1 A:HIS231 4.0 24.5 1.0 C11 A:8S3602 4.1 28.7 0.8 C04 A:8S3602 4.1 28.0 0.8 O A:HOH851 4.2 36.0 1.0 CG1 A:VAL228 4.2 25.9 1.0 O A:TRP230 4.2 24.7 1.0 C21 A:8S3602 4.3 39.4 0.8 C A:SER229 4.3 24.0 1.0 C20 A:8S3602 4.3 42.1 0.8 N A:SER229 4.3 19.8 1.0 CB A:SER229 4.5 27.0 1.0 C16 A:8S3602 4.5 42.2 0.8 C10 A:8S3602 4.6 30.7 0.8 CA A:SER229 4.6 28.9 1.0 CD2 A:HIS231 4.8 19.0 1.0 CE1 A:HIS231 4.8 17.5 1.0 C A:TRP230 4.8 26.2 1.0 CA A:HIS231 5.0 20.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Rna Dioxygenase Bound with An Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Rna Dioxygenase Bound with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:61.9 occ:0.78 CL2 A:8S3602 0.0 61.9 0.8 C11 A:8S3602 1.8 28.7 0.8 C10 A:8S3602 2.8 30.7 0.8 C13 A:8S3602 2.8 33.1 0.8 NH2 A:ARG96 3.0 57.0 1.0 N14 A:8S3602 3.0 34.0 0.8 C16 A:8S3602 3.2 42.2 0.8 C15 A:8S3602 3.4 40.2 0.8 CZ A:ARG96 3.9 46.5 1.0 NE A:ARG96 3.9 43.7 1.0 CB A:THR92 4.0 42.4 1.0 C02 A:8S3602 4.1 23.0 0.8 C04 A:8S3602 4.1 28.0 0.8 CG2 A:THR92 4.1 35.2 1.0 CE2 A:TYR108 4.3 37.0 1.0 C17 A:8S3602 4.3 34.6 0.8 C20 A:8S3602 4.5 42.1 0.8 C03 A:8S3602 4.6 25.6 0.8 CD A:PRO93 4.6 47.2 1.0 CD1 A:LEU109 4.7 31.4 1.0 OH A:TYR108 4.8 61.3 1.0 CB A:VAL94 4.9 31.7 1.0 CA A:THR92 5.0 41.2 1.0 CG1 A:VAL228 5.0 25.9 1.0 OG1 A:THR92 5.0 30.1 1.0

Y.Huang, R.Su, Y.Sheng, L.Dong, Z.Dong, H.Xu, T.Ni, Z.S.Zhang, T.Zhang, C.Li, L.Han, Z.Zhu, F.Lian, J.Wei, Q.Deng, Y.Wang, M.Wunderlich, Z.Gao, G.Pan, D.Zhong, H.Zhou, N.Zhang, J.Gan, H.Jiang, J.C.Mulloy, Z.Qian, J.Chen, C.G.Yang. Small-Molecule Targeting of Oncogenic Fto Demethylase in Acute Myeloid Leukemia. Cancer Cell V. 35 677 2019.
ISSN: ISSN 1535-6108
PubMed: 30991027
DOI: 10.1016/J.CCELL.2019.03.006