Bromine in PDB 6cnu: Crystal Structure of Jztx-V

The structure of Crystal Structure of Jztx-V, PDB code: 6cnu was solved by X.Min, Z.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.05
Space group	P 3 1 2
Cell size a, b, c (Å), α, β, γ (°)	37.160, 37.160, 64.605, 90.00, 90.00, 120.00
R / Rfree (%)	19 / 20.9

The binding sites of Bromine atom in the Crystal Structure of Jztx-V (pdb code 6cnu). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of Jztx-V, PDB code: 6cnu:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of Jztx-V


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Jztx-V within 5.0Å range: probe atom residue distance (Å) B Occ A:Br102 b:30.9 occ:1.00 CZ3 A:DTR25 1.9 18.9 1.0 CH2 A:DTR25 2.8 19.6 1.0 CE3 A:DTR25 2.8 15.1 1.0 CD2 A:DLE24 3.8 17.6 1.0 CD2 A:DTR25 4.1 13.3 1.0 CZ2 A:DTR25 4.1 18.1 1.0 CB A:DLE24 4.1 13.1 1.0 CE2 A:DTR25 4.6 14.9 1.0 CG A:DLE24 4.6 16.5 1.0 NH2 A:DAR27 4.7 19.6 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of Jztx-V


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Jztx-V within 5.0Å range: probe atom residue distance (Å) B Occ B:Br102 b:81.1 occ:1.00 CZ3 B:TRP25 2.7 26.7 1.0 CE3 B:TRP25 3.1 16.1 1.0 CD2 B:LEU24 3.9 21.8 1.0 CH2 B:TRP25 3.9 20.9 1.0 CB B:LEU24 4.0 13.6 1.0 CG B:LEU24 4.4 19.2 1.0 CD2 B:TRP25 4.5 13.7 1.0 CD1 B:LEU24 4.9 23.4 1.0

B.Wu, J.K.Murray, K.L.Andrews, K.Sham, J.Long, J.Aral, J.Ligutti, S.Amagasu, D.Liu, A.Zou, X.Min, Z.Wang, C.P.Ilch, T.J.Kornecook, M.J.Lin, X.Be, L.P.Miranda, B.D.Moyer, K.Biswas. Discovery of Tarantula Venom-Derived NAV1.7-Inhibitory Jztx-V Peptide 5-Br-TRP24 Analogue Am-6120 with Systemic Block of Histamine-Induced Pruritis. J. Med. Chem. V. 61 9500 2018.
ISSN: ISSN 1520-4804
PubMed: 30346167
DOI: 10.1021/ACS.JMEDCHEM.8B00736