Xenon in PDB 7shw: Crystal Structure of Mycobacterium Smegmatis Lmca with Xenon

The structure of Crystal Structure of Mycobacterium Smegmatis Lmca with Xenon, PDB code: 7shw was solved by O.Patel, I.Lucet, S.Panjikar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.58 / 1.79
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	34.12, 56.989, 73.573, 78.42, 89.21, 78.92
R / Rfree (%)	19.7 / 21

The binding sites of Xenon atom in the Crystal Structure of Mycobacterium Smegmatis Lmca with Xenon (pdb code 7shw). This binding sites where shown within 5.0 Angstroms radius around Xenon atom.
In total 5 binding sites of Xenon where determined in the Crystal Structure of Mycobacterium Smegmatis Lmca with Xenon, PDB code: 7shw:
Jump to Xenon binding site number: 1; 2; 3; 4; 5;

Xenon binding site 1 out of 5 in the Crystal Structure of Mycobacterium Smegmatis Lmca with Xenon


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 1 of Crystal Structure of Mycobacterium Smegmatis Lmca with Xenon within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe401 b:40.5 occ:0.50 CG2 A:THR97 3.5 37.5 1.0 CB A:LEU112 3.7 27.9 1.0 O A:THR97 3.9 25.2 1.0 CD1 A:LEU76 4.0 32.4 1.0 C A:THR97 4.1 25.7 1.0 CB A:THR97 4.1 33.2 1.0 C A:LEU112 4.2 27.4 1.0 O A:LEU112 4.2 25.2 1.0 CB A:LEU114 4.3 26.8 1.0 N A:ALA113 4.3 25.7 1.0 CD1 A:LEU112 4.3 32.4 1.0 N A:LEU114 4.4 26.4 1.0 N A:LEU99 4.4 22.3 1.0 N A:THR98 4.4 21.7 1.0 CA A:THR98 4.5 20.5 1.0 C A:THR98 4.5 25.1 1.0 CA A:ALA113 4.5 25.8 1.0 C A:ALA113 4.6 30.8 1.0 CA A:LEU112 4.6 26.9 1.0 CG A:LEU112 4.7 31.8 1.0 CB A:LEU99 4.7 21.6 1.0 CA A:THR97 4.8 23.4 1.0

Xenon binding site 2 out of 5 in the Crystal Structure of Mycobacterium Smegmatis Lmca with Xenon


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 2 of Crystal Structure of Mycobacterium Smegmatis Lmca with Xenon within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe402 b:46.4 occ:0.50 XE A:XE403 3.0 39.0 0.4 CE2 A:TYR281 3.8 27.8 1.0 CG1 A:VAL232 4.1 35.1 1.0 CE2 A:PHE66 4.1 24.9 1.0 CZ A:TYR281 4.1 34.8 1.0 CG2 A:VAL232 4.1 35.2 1.0 CZ A:PHE56 4.2 37.5 1.0 CZ A:PHE66 4.2 24.0 1.0 CE2 A:PHE56 4.2 39.2 1.0 OH A:TYR281 4.3 41.7 1.0 CD2 A:TYR281 4.3 26.3 1.0 CZ3 A:TRP239 4.4 22.6 1.0 CH2 A:TRP239 4.5 23.0 1.0 CB A:VAL232 4.5 35.5 1.0 CD2 A:PHE66 4.5 22.0 1.0 CE1 A:PHE56 4.5 37.5 1.0 CD1 A:LEU61 4.6 38.2 1.0 CE1 A:PHE66 4.7 24.1 1.0 CD2 A:PHE56 4.7 35.5 1.0 CE1 A:TYR281 4.9 27.3 1.0 CD1 A:PHE56 5.0 37.0 1.0

Xenon binding site 3 out of 5 in the Crystal Structure of Mycobacterium Smegmatis Lmca with Xenon


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 3 of Crystal Structure of Mycobacterium Smegmatis Lmca with Xenon within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe403 b:39.0 occ:0.40 XE A:XE402 3.0 46.4 0.5 CD1 A:PHE56 3.7 37.0 1.0 CD2 A:TYR281 3.7 26.3 1.0 CG A:PHE56 3.8 31.3 1.0 CE2 A:TYR281 3.8 27.8 1.0 CG1 A:VAL290 3.8 23.2 1.0 CE1 A:PHE56 4.1 37.5 1.0 CZ3 A:TRP239 4.1 22.6 1.0 CB A:PHE56 4.1 28.6 1.0 O A:THR291 4.2 22.3 1.0 CD2 A:PHE56 4.2 35.5 1.0 CD2 A:PHE66 4.4 22.0 1.0 CD1 A:TYR292 4.5 34.6 1.0 CZ A:PHE56 4.5 37.5 1.0 CE2 A:PHE56 4.6 39.2 1.0 CG A:TYR281 4.7 23.2 1.0 CA A:TYR292 4.7 22.4 1.0 CE3 A:TRP239 4.8 21.7 1.0 C A:THR291 4.8 21.9 1.0 CG A:PHE66 4.8 23.0 1.0 CB A:VAL290 4.8 22.7 1.0 CE2 A:PHE66 4.8 24.9 1.0 CB A:TYR292 4.9 24.8 1.0 CZ A:TYR281 5.0 34.8 1.0 CH2 A:TRP239 5.0 23.0 1.0

Xenon binding site 4 out of 5 in the Crystal Structure of Mycobacterium Smegmatis Lmca with Xenon


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 4 of Crystal Structure of Mycobacterium Smegmatis Lmca with Xenon within 5.0Å range: probe atom residue distance (Å) B Occ B:Xe401 b:34.5 occ:0.40 CG1 B:VAL62 3.7 49.6 1.0 CZ3 B:TRP239 3.8 24.9 1.0 CE3 B:TRP239 3.8 23.5 1.0 CB B:ALA234 3.9 26.1 1.0 CD2 B:PHE66 4.0 41.3 1.0 CD2 B:TRP239 4.0 22.2 1.0 CH2 B:TRP239 4.0 25.1 1.0 CE2 B:PHE66 4.1 43.8 1.0 CG1 B:VAL232 4.2 36.2 1.0 CE2 B:TRP239 4.2 25.8 1.0 CG1 B:VAL238 4.2 30.3 1.0 CZ2 B:TRP239 4.2 25.2 1.0 CG B:TRP239 4.7 22.6 1.0 CA B:TRP239 4.9 23.5 1.0 CG B:PHE66 4.9 40.9 1.0 N B:TRP239 4.9 23.5 1.0

Xenon binding site 5 out of 5 in the Crystal Structure of Mycobacterium Smegmatis Lmca with Xenon


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 5 of Crystal Structure of Mycobacterium Smegmatis Lmca with Xenon within 5.0Å range: probe atom residue distance (Å) B Occ B:Xe402 b:45.7 occ:0.40 CG2 B:THR97 3.5 35.1 1.0 CB B:LEU112 3.6 25.7 1.0 CD1 B:LEU76 4.0 28.4 1.0 CD1 B:LEU114 4.0 41.7 1.0 O B:THR97 4.1 23.4 1.0 CB B:THR97 4.1 33.1 1.0 C B:LEU112 4.2 26.7 1.0 CD1 B:LEU112 4.2 33.3 1.0 C B:THR97 4.3 23.9 1.0 O B:LEU112 4.3 23.2 1.0 N B:ALA113 4.4 25.2 1.0 CB B:LEU114 4.5 31.1 1.0 N B:LEU99 4.5 17.8 1.0 N B:THR98 4.5 20.0 1.0 C B:THR98 4.5 19.1 1.0 CG B:LEU112 4.6 32.3 1.0 CA B:THR98 4.6 19.1 1.0 N B:LEU114 4.6 28.4 1.0 CA B:LEU112 4.6 25.0 1.0 CA B:ALA113 4.7 25.8 1.0 CB B:LEU99 4.7 18.0 1.0 C B:ALA113 4.8 31.9 1.0 CA B:THR97 4.9 22.4 1.0 CG B:LEU114 4.9 40.5 1.0

O.Patel, R.Brammananth, W.Dai, S.Panjikar, R.L.Coppel, I.S.Lucet, P.K.Crellin. Crystal Structure of the Putative Cell-Wall Lipoglycan Biosynthesis Protein Lmca From Mycobacterium Smegmatis. Acta Crystallogr D Struct V. 78 494 2022BIOL.
ISSN: ISSN 2059-7983
PubMed: 35362472
DOI: 10.1107/S2059798322001772