Chlorine in PDB 6rel: Crystal Structure of PIZZA6-Sh with CDCL2 Nanocrystal

Protein crystallography data

The structure of Crystal Structure of PIZZA6-Sh with CDCL2 Nanocrystal, PDB code: 6rel was solved by H.Noguchi, D.E.Clarke, J.L.Gryspeerdt, S.D.Feyter, A.R.D.Voet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.41 / 1.08
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 71.642, 71.642, 166.889, 90.00, 90.00, 90.00
R / Rfree (%) 12.2 / 13.8

Other elements in 6rel:

The structure of Crystal Structure of PIZZA6-Sh with CDCL2 Nanocrystal also contains other interesting chemical elements:

Cadmium (Cd) 11 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of PIZZA6-Sh with CDCL2 Nanocrystal (pdb code 6rel). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Crystal Structure of PIZZA6-Sh with CDCL2 Nanocrystal, PDB code: 6rel:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 6rel

Go back to Chlorine Binding Sites List in 6rel
Chlorine binding site 1 out of 12 in the Crystal Structure of PIZZA6-Sh with CDCL2 Nanocrystal


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 PIZZA6-Sh with CDCL2 Nanocrystal within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl309

b:5.5
occ:1.00
 CD A:CD306 2.6 5.0 1.0
CD A:CD305 2.6 5.0 1.0
ND1 A:HIS142 3.3 6.7 1.0
NE2 A:HIS157 3.3 6.3 1.0
CD2 A:HIS157 3.3 6.0 1.0
NE2 A:HIS115 3.5 6.2 1.0
CE1 B:HIS115 3.5 6.5 1.0
CD2 A:HIS115 3.5 6.5 1.0
CL B:CL307 3.5 5.5 1.0
NE2 B:HIS115 3.5 6.5 1.0
CE1 A:HIS142 3.7 7.0 1.0
NE2 B:HIS73 3.8 6.6 1.0
CL A:CL313 3.9 5.4 1.0
CL A:CL310 4.0 5.6 1.0
CE1 A:HIS157 4.1 6.1 1.0
CG2 A:THR140 4.2 8.2 1.0
CG A:HIS157 4.2 5.8 1.0
CE1 B:HIS73 4.5 6.5 1.0
CG A:HIS142 4.5 6.6 1.0
ND1 A:HIS157 4.6 6.4 1.0
CD B:CD301 4.7 5.0 1.0
CE1 A:HIS115 4.8 7.6 1.0
ND1 B:HIS115 4.8 7.3 1.0
CG A:HIS115 4.8 6.5 1.0
CD2 B:HIS115 4.9 7.3 1.0
CD2 B:HIS73 4.9 6.7 1.0

Chlorine binding site 2 out of 12 in 6rel

Go back to Chlorine Binding Sites List in 6rel
Chlorine binding site 2 out of 12 in the Crystal Structure of PIZZA6-Sh with CDCL2 Nanocrystal


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 PIZZA6-Sh with CDCL2 Nanocrystal within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl310

b:5.6
occ:1.00
 CD B:CD301 2.7 5.0 1.0
CD A:CD305 2.8 5.0 1.0
CD A:CD304 2.8 5.0 1.0
CL B:CL305 3.5 5.7 1.0
CL B:CL306 3.6 5.5 1.0
NE2 A:HIS115 3.6 6.2 1.0
CE1 A:HIS58 3.6 6.9 1.0
CL B:CL307 3.7 5.5 1.0
NE2 A:HIS73 3.9 6.3 1.0
CL A:CL311 3.9 5.5 1.0
CL A:CL312 3.9 5.5 1.0
CL A:CL313 3.9 5.4 1.0
CE1 A:HIS73 4.0 6.5 1.0
CE1 A:HIS142 4.0 7.0 1.0
CL A:CL309 4.0 5.5 1.0
CE1 A:HIS115 4.3 7.6 1.0
CD2 A:HIS115 4.3 6.5 1.0
ND1 A:HIS58 4.4 7.0 1.0
NE2 A:HIS58 4.4 6.8 1.0
ND1 A:HIS142 4.7 6.7 1.0
CD A:CD303 4.7 5.1 1.0
CD A:CD306 4.9 5.0 1.0
NE2 A:HIS142 5.0 6.7 1.0

Chlorine binding site 3 out of 12 in 6rel

Go back to Chlorine Binding Sites List in 6rel
Chlorine binding site 3 out of 12 in the Crystal Structure of PIZZA6-Sh with CDCL2 Nanocrystal


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of PIZZA6-Sh with CDCL2 Nanocrystal within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl311

b:5.5
occ:1.00
 CD A:CD304 2.6 5.0 1.0
CD A:CD303 2.6 5.1 1.0
ND1 A:HIS58 3.2 7.0 1.0
NE2 A:HIS73 3.3 6.3 1.0
CD2 A:HIS73 3.4 6.5 1.0
NE2 A:HIS31 3.5 8.8 1.0
CD2 A:HIS31 3.5 8.8 1.0
CL B:CL305 3.6 5.7 1.0
CE1 B:HIS199 3.6 10.1 1.0
CE1 A:HIS58 3.7 6.9 1.0
NE2 B:HIS199 3.7 8.9 1.0
NE2 B:HIS157 3.8 6.3 1.0
CL A:CL310 3.9 5.6 1.0
CL A:CL312 4.0 5.5 1.0
CE1 A:HIS73 4.1 6.5 1.0
CG2 A:THR56 4.2 8.1 1.0
CG A:HIS73 4.2 6.7 1.0
CE1 B:HIS157 4.5 6.4 1.0
CG A:HIS58 4.5 6.1 1.0
ND1 A:HIS73 4.6 6.6 1.0
CE1 A:HIS31 4.7 8.7 1.0
CD B:CD301 4.7 5.0 1.0
CG A:HIS31 4.8 7.5 1.0
ND1 B:HIS199 4.9 8.0 1.0
NE2 A:HIS58 4.9 6.8 1.0
CD2 B:HIS157 5.0 6.6 1.0
CD2 B:HIS199 5.0 8.5 1.0

Chlorine binding site 4 out of 12 in 6rel

Go back to Chlorine Binding Sites List in 6rel
Chlorine binding site 4 out of 12 in the Crystal Structure of PIZZA6-Sh with CDCL2 Nanocrystal


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of PIZZA6-Sh with CDCL2 Nanocrystal within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl312

b:5.5
occ:1.00
 CD B:CD301 2.7 5.0 1.0
CD A:CD303 2.7 5.1 1.0
CD A:CD302 2.8 5.0 1.0
CL B:CL304 3.5 5.5 1.0
CL B:CL308 3.6 5.7 1.0
CE1 A:HIS226 3.6 7.5 1.0
CL B:CL305 3.7 5.7 1.0
NE2 A:HIS31 3.7 8.8 1.0
NE2 A:HIS241 3.9 6.5 1.0
CL A:CL314 3.9 5.5 1.0
CL A:CL310 3.9 5.6 1.0
CL A:CL313 3.9 5.4 1.0
CE1 A:HIS241 4.0 6.0 1.0
CL A:CL311 4.0 5.5 1.0
CE1 A:HIS58 4.0 6.9 1.0
CE1 A:HIS31 4.3 8.7 1.0
ND1 A:HIS226 4.3 6.7 1.0
CD2 A:HIS31 4.4 8.8 1.0
NE2 A:HIS226 4.4 6.5 1.0
ND1 A:HIS58 4.8 7.0 1.0
CD A:CD301 4.8 5.1 1.0
CD A:CD304 4.9 5.0 1.0
NE2 A:HIS58 5.0 6.8 1.0

Chlorine binding site 5 out of 12 in 6rel

Go back to Chlorine Binding Sites List in 6rel
Chlorine binding site 5 out of 12 in the Crystal Structure of PIZZA6-Sh with CDCL2 Nanocrystal


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of PIZZA6-Sh with CDCL2 Nanocrystal within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl313

b:5.4
occ:1.00
 CD B:CD301 2.7 5.0 1.0
CD A:CD301 2.7 5.1 1.0
CD A:CD306 2.8 5.0 1.0
CL B:CL309 3.5 5.6 1.0
CL B:CL307 3.6 5.5 1.0
NE2 A:HIS199 3.6 5.9 1.0
CL B:CL308 3.6 5.7 1.0
CE1 A:HIS142 3.7 7.0 1.0
NE2 A:HIS157 3.9 6.3 1.0
CL A:CL309 3.9 5.5 1.0
CL A:CL312 3.9 5.5 1.0
CL A:CL310 3.9 5.6 1.0
CL A:CL314 4.0 5.5 1.0
CE1 A:HIS226 4.0 7.5 1.0
CE1 A:HIS157 4.0 6.1 1.0
CD2 A:HIS199 4.3 6.0 1.0
ND1 A:HIS142 4.3 6.7 1.0
CE1 A:HIS199 4.3 6.9 1.0
NE2 A:HIS142 4.5 6.7 1.0
ND1 A:HIS226 4.7 6.7 1.0
CD A:CD305 4.8 5.0 1.0
CD A:CD302 4.9 5.0 1.0
NE2 A:HIS226 5.0 6.5 1.0

Chlorine binding site 6 out of 12 in 6rel

Go back to Chlorine Binding Sites List in 6rel
Chlorine binding site 6 out of 12 in the Crystal Structure of PIZZA6-Sh with CDCL2 Nanocrystal


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of PIZZA6-Sh with CDCL2 Nanocrystal within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl314

b:5.5
occ:1.00
 CD A:CD302 2.6 5.0 1.0
CD A:CD301 2.6 5.1 1.0
ND1 A:HIS226 3.3 6.7 1.0
NE2 A:HIS241 3.3 6.5 1.0
CD2 A:HIS241 3.3 6.5 1.0
NE2 A:HIS199 3.5 5.9 1.0
CD2 A:HIS199 3.5 6.0 1.0
CE1 B:HIS31 3.5 7.7 1.0
CL B:CL308 3.6 5.7 1.0
NE2 B:HIS31 3.6 6.8 1.0
CE1 A:HIS226 3.7 7.5 1.0
NE2 B:HIS241 3.8 7.1 1.0
CL A:CL312 3.9 5.5 1.0
CL A:CL313 4.0 5.4 1.0
CE1 A:HIS241 4.1 6.0 1.0
CG2 A:THR224 4.2 8.8 1.0
CG A:HIS241 4.2 5.9 1.0
CE1 B:HIS241 4.5 6.8 1.0
CG A:HIS226 4.5 6.0 1.0
ND1 A:HIS241 4.6 5.8 1.0
CD B:CD301 4.7 5.0 1.0
CE1 A:HIS199 4.8 6.9 1.0
ND1 B:HIS31 4.8 7.8 1.0
CG A:HIS199 4.8 7.0 1.0
CD2 B:HIS241 4.9 6.1 1.0
CD2 B:HIS31 5.0 7.0 1.0
CB A:HIS241 5.0 7.4 1.0

Chlorine binding site 7 out of 12 in 6rel

Go back to Chlorine Binding Sites List in 6rel
Chlorine binding site 7 out of 12 in the Crystal Structure of PIZZA6-Sh with CDCL2 Nanocrystal


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of PIZZA6-Sh with CDCL2 Nanocrystal within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:5.5
occ:1.00
 CD A:CD302 2.6 5.0 1.0
CD A:CD303 2.6 5.1 1.0
ND1 B:HIS226 3.2 7.0 1.0
NE2 B:HIS241 3.3 7.1 1.0
CD2 B:HIS241 3.3 6.1 1.0
CL A:CL312 3.5 5.5 1.0
CE1 A:HIS31 3.5 8.7 1.0
CD2 B:HIS199 3.5 8.5 1.0
NE2 B:HIS199 3.5 8.9 1.0
NE2 A:HIS31 3.7 8.8 1.0
CE1 B:HIS226 3.7 7.2 1.0
NE2 A:HIS241 3.8 6.5 1.0
CL B:CL308 3.9 5.7 1.0
CL B:CL305 4.0 5.7 1.0
CE1 B:HIS241 4.1 6.8 1.0
CG2 B:THR224 4.2 8.7 1.0
CG B:HIS241 4.2 6.9 1.0
CG B:HIS226 4.5 6.2 1.0
CE1 A:HIS241 4.5 6.0 1.0
ND1 B:HIS241 4.6 7.1 1.0
CD B:CD301 4.7 5.0 1.0
ND1 A:HIS31 4.8 8.5 1.0
CE1 B:HIS199 4.8 10.1 1.0
CG B:HIS199 4.9 7.6 1.0
CD2 A:HIS241 5.0 6.5 1.0
CD2 A:HIS31 5.0 8.8 1.0

Chlorine binding site 8 out of 12 in 6rel

Go back to Chlorine Binding Sites List in 6rel
Chlorine binding site 8 out of 12 in the Crystal Structure of PIZZA6-Sh with CDCL2 Nanocrystal


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of PIZZA6-Sh with CDCL2 Nanocrystal within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl305

b:5.7
occ:1.00
 CD B:CD301 2.7 5.0 1.0
CD A:CD304 2.8 5.0 1.0
CD A:CD303 2.8 5.1 1.0
CL A:CL310 3.5 5.6 1.0
CL A:CL311 3.6 5.5 1.0
CE1 B:HIS142 3.6 6.7 1.0
CL A:CL312 3.7 5.5 1.0
NE2 B:HIS199 3.7 8.9 1.0
CL B:CL306 3.9 5.5 1.0
NE2 B:HIS157 3.9 6.3 1.0
CL B:CL307 3.9 5.5 1.0
CL B:CL308 3.9 5.7 1.0
CE1 B:HIS157 4.0 6.4 1.0
CL B:CL304 4.0 5.5 1.0
CE1 B:HIS226 4.0 7.2 1.0
ND1 B:HIS142 4.3 6.8 1.0
NE2 B:HIS142 4.4 6.6 1.0
CD2 B:HIS199 4.4 8.5 1.0
CE1 B:HIS199 4.4 10.1 1.0
ND1 B:HIS226 4.7 7.0 1.0
CD A:CD305 4.7 5.0 1.0
CD A:CD302 4.9 5.0 1.0
NE2 B:HIS226 5.0 7.0 1.0

Chlorine binding site 9 out of 12 in 6rel

Go back to Chlorine Binding Sites List in 6rel
Chlorine binding site 9 out of 12 in the Crystal Structure of PIZZA6-Sh with CDCL2 Nanocrystal


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of PIZZA6-Sh with CDCL2 Nanocrystal within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl306

b:5.5
occ:1.00
 CD A:CD304 2.6 5.0 1.0
CD A:CD305 2.6 5.0 1.0
ND1 B:HIS142 3.2 6.8 1.0
NE2 B:HIS157 3.3 6.3 1.0
CD2 B:HIS157 3.4 6.6 1.0
NE2 B:HIS115 3.5 6.5 1.0
CE1 A:HIS115 3.5 7.6 1.0
CD2 B:HIS115 3.5 7.3 1.0
CL A:CL310 3.6 5.6 1.0
NE2 A:HIS115 3.6 6.2 1.0
CE1 B:HIS142 3.7 6.7 1.0
NE2 A:HIS73 3.8 6.3 1.0
CL B:CL305 3.9 5.7 1.0
CL B:CL307 4.0 5.5 1.0
CE1 B:HIS157 4.1 6.4 1.0
CG2 B:THR140 4.1 8.6 1.0
CG B:HIS157 4.2 6.0 1.0
CG B:HIS142 4.5 6.0 1.0
CE1 A:HIS73 4.5 6.5 1.0
ND1 B:HIS157 4.6 6.3 1.0
CD B:CD301 4.7 5.0 1.0
CE1 B:HIS115 4.8 6.5 1.0
ND1 A:HIS115 4.8 7.4 1.0
CG B:HIS115 4.8 6.6 1.0
NE2 B:HIS142 4.9 6.6 1.0
CD2 A:HIS115 4.9 6.5 1.0
CD2 A:HIS73 5.0 6.5 1.0

Chlorine binding site 10 out of 12 in 6rel

Go back to Chlorine Binding Sites List in 6rel
Chlorine binding site 10 out of 12 in the Crystal Structure of PIZZA6-Sh with CDCL2 Nanocrystal


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of PIZZA6-Sh with CDCL2 Nanocrystal within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl307

b:5.5
occ:1.00
 CD B:CD301 2.7 5.0 1.0
CD A:CD305 2.7 5.0 1.0
CD A:CD306 2.8 5.0 1.0
CL A:CL309 3.5 5.5 1.0
CL A:CL313 3.6 5.4 1.0
NE2 B:HIS115 3.6 6.5 1.0
CE1 B:HIS58 3.6 6.8 1.0
CL A:CL310 3.7 5.6 1.0
NE2 B:HIS73 3.9 6.6 1.0
CL B:CL309 3.9 5.6 1.0
CL B:CL308 3.9 5.7 1.0
CL B:CL305 3.9 5.7 1.0
CE1 B:HIS142 4.0 6.7 1.0
CL B:CL306 4.0 5.5 1.0
CE1 B:HIS73 4.0 6.5 1.0
CD2 B:HIS115 4.3 7.3 1.0
CE1 B:HIS115 4.3 6.5 1.0
ND1 B:HIS58 4.3 6.3 1.0
NE2 B:HIS58 4.4 6.6 1.0
ND1 B:HIS142 4.7 6.8 1.0
CD A:CD301 4.8 5.1 1.0
NE2 B:HIS142 4.9 6.6 1.0
CD A:CD304 4.9 5.0 1.0

Reference:

H.Noguchi, D.E.Clarke, J.L.Gryspeerdt, S.D.Feyter, A.R.D.Voet. Artificial Beta-Propeller Protein-Based Hydrolases To Be Published.
Page generated: Sat Dec 12 13:36:08 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy