Bromine in PDB 8clf: Z-SOLQ2BR Bound to Tubulin (T2R-Ttl) Complex

The structure of Z-SOLQ2BR Bound to Tubulin (T2R-Ttl) Complex, PDB code: 8clf was solved by M.Wranik, Q.Bertrand, M.Kepa, T.Weinert, M.Steinmetz, J.Standfuss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.35 / 2.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	106.65, 160.33, 180.95, 90, 90, 90
R / Rfree (%)	16.8 / 21.7

The structure of Z-SOLQ2BR Bound to Tubulin (T2R-Ttl) Complex also contains other interesting chemical elements:

Magnesium	(Mg)	4 atoms
Calcium	(Ca)	2 atoms

The binding sites of Bromine atom in the Z-SOLQ2BR Bound to Tubulin (T2R-Ttl) Complex (pdb code 8clf). 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 Z-SOLQ2BR Bound to Tubulin (T2R-Ttl) Complex, PDB code: 8clf:

Bromine binding site 1 out of 1 in the Z-SOLQ2BR Bound to Tubulin (T2R-Ttl) Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Z-SOLQ2BR Bound to Tubulin (T2R-Ttl) Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Br503 b:117.9 occ:1.00 BR B:V1O503 0.0 117.9 1.0 C B:V1O503 2.0 104.2 1.0 H B:V1O503 2.5 125.2 1.0 HD11 B:ILE378 2.6 82.3 1.0 HG12 B:ILE318 2.6 66.2 1.0 HG23 B:ILE318 2.6 94.3 1.0 C1 B:V1O503 2.9 105.5 1.0 HG13 B:ILE318 2.9 66.2 1.0 HD12 B:ILE378 3.1 82.3 1.0 CG1 B:ILE318 3.2 66.2 1.0 CD1 B:ILE378 3.2 82.3 1.0 HA B:VAL238 3.2 60.2 1.0 HG21 B:ILE318 3.3 94.3 1.0 CG2 B:ILE318 3.3 94.3 1.0 HB B:THR376 3.4 61.0 1.0 HD13 B:ILE378 3.4 82.3 1.0 H17 B:V1O503 3.4 109.4 1.0 H B:ILE318 3.7 64.6 1.0 CB B:ILE318 3.8 61.9 1.0 O B:THR376 3.8 69.5 1.0 HA B:ALA317 3.9 65.3 1.0 O3 B:V1O503 3.9 104.9 1.0 N B:ILE318 4.0 64.6 1.0 HG23 B:VAL238 4.0 72.1 1.0 HA B:PHE377 4.0 74.3 1.0 C B:THR376 4.1 69.7 1.0 O B:GLY237 4.1 68.6 1.0 HG22 B:ILE318 4.2 94.3 1.0 O B:ALA316 4.2 71.9 1.0 C2 B:V1O503 4.2 90.5 1.0 CA B:VAL238 4.2 60.2 1.0 C16 B:V1O503 4.2 91.1 1.0 CB B:THR376 4.3 61.0 1.0 H B:ILE378 4.3 63.9 1.0 C B:ALA317 4.4 68.4 1.0 HG22 B:THR376 4.4 65.0 1.0 CD1 B:ILE318 4.5 97.7 1.0 CA B:ALA317 4.5 65.3 1.0 CG1 B:ILE378 4.5 74.5 1.0 CA B:ILE318 4.5 81.2 1.0 N B:PHE377 4.5 74.3 1.0 C15 B:V1O503 4.6 97.5 1.0 HB B:ILE318 4.6 61.9 1.0 C B:GLY237 4.6 69.3 1.0 C B:ALA316 4.6 60.0 1.0 HD13 B:ILE318 4.6 97.7 1.0 HG13 B:ILE378 4.7 74.5 1.0 CA B:PHE377 4.7 74.3 1.0 HD11 B:ILE318 4.7 97.7 1.0 N B:VAL238 4.7 64.4 1.0 CG2 B:THR376 4.8 65.0 1.0 CG2 B:VAL238 4.8 72.1 1.0 N B:ALA317 4.8 55.4 1.0 HG21 B:THR376 4.8 65.0 1.0 CA B:THR376 4.8 69.0 1.0 HB1 B:ALA316 4.8 53.2 1.0 N B:ILE378 4.8 63.9 1.0 HG12 B:ILE378 4.9 74.5 1.0 O B:VAL238 4.9 70.4 1.0 H18 B:V1O503 4.9 109.4 1.0 HG22 B:VAL238 4.9 72.1 1.0 C B:VAL238 4.9 69.1 1.0 H16 B:V1O503 4.9 109.4 1.0 HB3 B:ALA316 5.0 53.2 1.0

M.Wranik, M.W.Kepa, E.V.Beale, D.James, Q.Bertrand, T.Weinert, A.Furrer, H.Glover, D.Gashi, M.Carrillo, Y.Kondo, R.T.Stipp, G.Khusainov, K.Nass, D.Ozerov, C.Cirelli, P.J.M.Johnson, F.Dworkowski, J.H.Beale, S.Stubbs, T.Zamofing, M.Schneider, K.Krauskopf, L.Gao, O.Thorn-Seshold, C.Bostedt, C.Bacellar, M.O.Steinmetz, C.Milne, J.Standfuss. A Multi-Reservoir Extruder For Time-Resolved Serial Protein Crystallography and Compound Screening at X-Ray Free-Electron Lasers. Nat Commun V. 14 7956 2023.
ISSN: ESSN 2041-1723
PubMed: 38042952
DOI: 10.1038/S41467-023-43523-5