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Chlorine in PDB 5u35: Crystal Structure of A De Novo Designed Protein with Curved Beta-Sheet

Protein crystallography data

The structure of Crystal Structure of A De Novo Designed Protein with Curved Beta-Sheet, PDB code: 5u35 was solved by G.Oberdorfer, E.Marcos, B.Basanta, T.M.Chidyausiku, B.Sankaran, P.H.Zwart, D.Baker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.27 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 38.010, 33.200, 86.590, 90.00, 91.78, 90.00
R / Rfree (%) 20.1 / 24.7

Other elements in 5u35:

The structure of Crystal Structure of A De Novo Designed Protein with Curved Beta-Sheet also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A De Novo Designed Protein with Curved Beta-Sheet (pdb code 5u35). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of A De Novo Designed Protein with Curved Beta-Sheet, PDB code: 5u35:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5u35

Go back to Chlorine Binding Sites List in 5u35
Chlorine binding site 1 out of 2 in the Crystal Structure of A De Novo Designed Protein with Curved Beta-Sheet


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of A De Novo Designed Protein with Curved Beta-Sheet within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:61.9
occ:1.00
ND1 A:HIS0 2.2 63.6 1.0
N A:HIS0 2.3 62.0 1.0
N A:GLY-2 2.3 73.2 1.0
N A:SER-1 2.4 69.1 1.0
C A:GLY-2 3.1 70.5 1.0
CE1 A:HIS0 3.1 64.5 1.0
CG A:HIS0 3.2 63.6 1.0
C A:SER-1 3.2 62.3 1.0
CA A:GLY-2 3.2 73.4 1.0
CA A:HIS0 3.2 59.6 1.0
CA A:SER-1 3.2 65.8 1.0
CB A:HIS0 3.5 60.1 1.0
O A:HIS0 3.5 57.3 1.0
C A:HIS0 3.8 55.4 1.0
O A:GLY-2 4.2 70.0 1.0
NE2 A:HIS0 4.3 67.2 1.0
CD2 A:HIS0 4.3 66.8 1.0
O A:SER-1 4.3 61.3 1.0
OG A:SER-1 4.4 68.5 1.0
CB A:SER-1 4.4 66.2 1.0
N A:MET1 5.0 46.7 1.0

Chlorine binding site 2 out of 2 in 5u35

Go back to Chlorine Binding Sites List in 5u35
Chlorine binding site 2 out of 2 in the Crystal Structure of A De Novo Designed Protein with Curved Beta-Sheet


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of A De Novo Designed Protein with Curved Beta-Sheet within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl203

b:38.6
occ:1.00
N B:HIS0 2.2 58.8 1.0
ND1 B:HIS0 2.3 61.8 1.0
N B:SER-1 2.3 56.1 1.0
N B:GLY-2 2.4 59.5 1.0
C B:SER-1 3.1 57.3 1.0
C B:GLY-2 3.1 58.1 1.0
CA B:HIS0 3.2 54.7 1.0
CA B:SER-1 3.2 55.5 1.0
CG B:HIS0 3.2 58.6 1.0
CA B:GLY-2 3.2 59.7 1.0
CE1 B:HIS0 3.3 61.4 1.0
O B:HIS0 3.4 45.3 1.0
CB B:HIS0 3.5 55.8 1.0
C B:HIS0 3.7 46.6 1.0
OG B:SER-1 4.1 60.0 1.0
O B:GLY-2 4.3 62.7 1.0
CB B:SER-1 4.3 53.6 1.0
O B:SER-1 4.3 58.7 1.0
NE2 B:HIS0 4.4 61.2 1.0
CD2 B:HIS0 4.4 59.1 1.0
O B:HOH353 4.8 47.8 1.0
N B:MET1 4.9 34.1 1.0

Reference:

E.Marcos, B.Basanta, T.M.Chidyausiku, Y.Tang, G.Oberdorfer, G.Liu, G.V.Swapna, R.Guan, D.A.Silva, J.Dou, J.H.Pereira, R.Xiao, B.Sankaran, P.H.Zwart, G.T.Montelione, D.Baker. Principles For Designing Proteins with Cavities Formed By Curved Beta Sheets. Science V. 355 201 2017.
ISSN: ESSN 1095-9203
PubMed: 28082595
DOI: 10.1126/SCIENCE.AAH7389
Page generated: Sat Jul 12 09:13:05 2025

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