Caesium in PDB 1g57: Crystal Structure of 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase

The structure of Crystal Structure of 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase, PDB code: 1g57 was solved by D.-I.Liao, J.C.Calabrese, Z.Wawrzak, P.V.Viitanen, D.B.Jordan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.40
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	78.187, 78.187, 69.622, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / n/a

The binding sites of Caesium atom in the Crystal Structure of 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase (pdb code 1g57). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 4 binding sites of Caesium where determined in the Crystal Structure of 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase, PDB code: 1g57:
Jump to Caesium binding site number: 1; 2; 3; 4;

Caesium binding site 1 out of 4 in the Crystal Structure of 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of Crystal Structure of 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs501 b:16.8 occ:0.50 O A:HOH506 2.4 8.7 1.0 O B:ILE59 2.7 19.9 1.0 O A:GLY62 2.8 10.3 1.0 O A:HOH582 2.8 30.2 1.0 O A:ARG60 2.9 13.5 1.0 O A:ILE59 3.0 12.8 1.0 CS B:CS502 3.1 27.7 0.5 C A:ARG60 3.6 11.1 1.0 C B:ILE59 3.6 16.5 1.0 CG2 B:ILE59 3.7 12.9 1.0 CA B:ARG60 3.8 15.5 1.0 C A:GLY62 4.0 8.8 1.0 O B:ARG60 4.0 15.8 1.0 C A:ILE59 4.1 11.9 1.0 N B:ARG60 4.1 13.8 1.0 N A:GLY62 4.2 10.1 1.0 CA A:ARG60 4.2 7.5 1.0 C B:ARG60 4.2 12.7 1.0 N A:HIS61 4.3 8.4 1.0 C A:HIS61 4.4 11.1 1.0 CA A:HIS61 4.5 9.0 1.0 O A:HOH559 4.5 19.8 1.0 N A:ARG60 4.6 8.8 1.0 CA A:GLY62 4.7 10.5 1.0 CA B:ILE59 4.8 10.8 1.0 CB B:ILE59 4.8 12.9 1.0 C A:SER63 4.8 10.7 1.0 N A:SER63 5.0 8.1 1.0 NH1 A:ARG60 5.0 25.8 1.0 N A:GLY64 5.0 8.8 1.0

Caesium binding site 2 out of 4 in the Crystal Structure of 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of Crystal Structure of 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs503 b:34.9 occ:0.50 O A:HOH620 2.4 26.0 1.0 O A:HOH555 2.9 15.2 1.0 O A:HOH624 2.9 39.9 1.0 O A:ALA164 3.1 16.1 1.0 CE2 A:PHE166 3.6 10.2 1.0 CZ A:PHE166 3.6 10.8 1.0 O A:GLY165 3.6 13.3 1.0 C A:GLY165 3.6 12.8 1.0 CD2 A:PHE166 3.8 10.8 1.0 CE1 A:PHE166 3.8 11.6 1.0 O A:HOH724 3.8 52.9 1.0 O A:HOH725 3.8 43.3 1.0 CG A:PHE166 4.0 10.0 1.0 CD1 A:PHE166 4.0 8.8 1.0 CA A:GLY165 4.0 10.1 1.0 N A:PHE166 4.1 10.0 1.0 C A:ALA164 4.1 12.4 1.0 O A:HOH614 4.4 28.0 1.0 CG A:ARG24 4.4 12.3 1.0 N A:GLY165 4.5 11.9 1.0 CA A:PHE166 4.5 8.7 1.0 O A:HOH674 4.8 44.0 1.0 CB A:PHE166 4.9 8.8 1.0 CA A:ARG24 4.9 11.0 1.0 CD A:ARG24 5.0 19.7 1.0

Caesium binding site 3 out of 4 in the Crystal Structure of 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of Crystal Structure of 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs504 b:25.7 occ:0.50 O A:HOH628 2.7 31.6 1.0 O A:HOH562 3.0 12.8 1.0 O A:GLU48 3.0 14.0 1.0 NE A:ARG119 3.6 12.2 1.0 CZ A:ARG119 4.0 19.4 1.0 NH2 A:ARG119 4.0 12.3 1.0 C A:GLU48 4.0 11.2 1.0 CD A:ARG119 4.3 11.1 1.0 CA A:THR49 4.6 8.9 1.0 N A:THR49 4.7 9.6 1.0 CA A:GLU48 4.8 10.3 1.0 CG A:ARG119 4.8 9.7 1.0 O A:MET50 4.8 10.1 1.0 C A:THR49 4.9 10.4 1.0 NH1 A:ARG119 4.9 14.7 1.0

Caesium binding site 4 out of 4 in the Crystal Structure of 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of Crystal Structure of 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cs502 b:27.7 occ:0.50 O B:GLY62 2.6 11.7 1.0 O B:ARG60 2.8 15.8 1.0 O A:HOH506 2.8 8.7 1.0 O A:ILE59 2.9 12.8 1.0 O B:HOH564 3.0 22.6 1.0 O B:ILE59 3.1 19.9 1.0 CS A:CS501 3.1 16.8 0.5 C B:ARG60 3.5 12.7 1.0 CA A:ARG60 3.7 7.5 1.0 C A:ILE59 3.7 11.9 1.0 C B:GLY62 3.8 9.4 1.0 N B:GLY62 3.9 11.3 1.0 CG2 A:ILE59 3.9 10.4 1.0 O A:ARG60 4.0 13.5 1.0 C B:HIS61 4.1 12.3 1.0 N A:ARG60 4.1 8.8 1.0 N B:HIS61 4.1 10.8 1.0 C B:ILE59 4.2 16.5 1.0 CA B:ARG60 4.2 15.5 1.0 O B:HOH524 4.2 20.2 1.0 C A:ARG60 4.3 11.1 1.0 CA B:HIS61 4.3 11.4 1.0 CA B:GLY62 4.5 9.9 1.0 N B:ARG60 4.7 13.8 1.0 O B:HIS61 4.8 12.7 1.0 NH1 B:ARG60 4.8 28.2 1.0 N B:SER63 4.9 7.5 1.0 CA A:ILE59 4.9 9.2 1.0 CB A:ARG60 4.9 10.6 1.0 C B:SER63 4.9 7.8 1.0 CD A:ARG60 5.0 28.7 1.0 CB A:ILE59 5.0 9.2 1.0

D.I.Liao, J.C.Calabrese, Z.Wawrzak, P.V.Viitanen, D.B.Jordan. Crystal Structure of 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase of Riboflavin Biosynthesis. Structure V. 9 11 2001.
ISSN: ISSN 0969-2126
PubMed: 11342130
DOI: 10.1016/S0969-2126(00)00550-5