Bromine in PDB 8gti: Corticotropin-Releasing Hormone Receptor 1(CRF1R) Bound with Bmk-C205 By Xfel

All present enzymatic activity of Corticotropin-Releasing Hormone Receptor 1(CRF1R) Bound with Bmk-C205 By Xfel:
3.2.1.17;

The structure of Corticotropin-Releasing Hormone Receptor 1(CRF1R) Bound with Bmk-C205 By Xfel, PDB code: 8gti was solved by H.S.Cho, H.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.64 / 2.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	95.66, 70.65, 86.75, 90, 97.82, 90
R / Rfree (%)	20.9 / 23.7

The binding sites of Bromine atom in the Corticotropin-Releasing Hormone Receptor 1(CRF1R) Bound with Bmk-C205 By Xfel (pdb code 8gti). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Corticotropin-Releasing Hormone Receptor 1(CRF1R) Bound with Bmk-C205 By Xfel, PDB code: 8gti:

Bromine binding site 1 out of 1 in the Corticotropin-Releasing Hormone Receptor 1(CRF1R) Bound with Bmk-C205 By Xfel


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Corticotropin-Releasing Hormone Receptor 1(CRF1R) Bound with Bmk-C205 By Xfel within 5.0Å range: probe atom residue distance (Å) B Occ A:Br706 b:54.3 occ:1.00 BR2 A:0JS706 0.0 54.3 1.0 C25 A:0JS706 2.0 50.6 1.0 C24 A:0JS706 2.9 47.8 1.0 C27 A:0JS706 2.9 46.2 1.0 H271 A:0JS706 3.0 55.5 1.0 H241 A:0JS706 3.0 57.4 1.0 CD1 A:ILE290 3.9 65.3 1.0 CB A:LEU287 4.1 59.8 1.0 O A:ASN283 4.1 52.6 1.0 CA A:LEU287 4.1 61.3 1.0 CA A:GLY210 4.2 51.3 1.0 N A:LEU287 4.2 59.6 1.0 C21 A:0JS706 4.2 57.1 1.0 C28 A:0JS706 4.3 54.6 1.0 OD1 A:ASN283 4.3 52.8 1.0 CB A:PHE286 4.4 57.3 1.0 CD2 A:LEU213 4.4 71.6 1.0 CD1 A:LEU287 4.4 59.6 1.0 C A:PHE286 4.7 62.0 1.0 CG A:ASN283 4.7 56.2 1.0 C20 A:0JS706 4.8 52.3 1.0 O A:GLY210 4.8 49.0 1.0 CG A:LEU287 4.9 60.2 1.0 C A:GLY210 5.0 52.7 1.0 CG2 A:THR316 5.0 55.4 1.0

H.Kim, T.Lim, G.E.Ha, J.Y.Lee, J.W.Kim, N.Chang, S.H.Kim, K.H.Kim, J.Lee, Y.Cho, B.W.Kim, A.Abrahamsson, S.H.Kim, H.J.Kim, S.Park, S.J.Lee, J.Park, E.Cheong, B.M.Kim, H.S.Cho. Structure-Based Drug Discovery of A Corticotropin-Releasing Hormone Receptor 1 Antagonist Using An X-Ray Free-Electron Laser Exp.Mol.Med. 2023.
ISSN: ISSN 1226-3613
DOI: 10.1038/S12276-023-01082-1