Chlorine in PDB 6ix5: The Structure of Lepi Complex with Sam and Its Substrate Analogue

Protein crystallography data

The structure of The Structure of Lepi Complex with Sam and Its Substrate Analogue, PDB code: 6ix5 was solved by Y.Cai, M.Ohashi, Y.Hai, Y.Tang, J.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.99 / 1.70
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 161.051, 62.239, 114.150, 90.00, 113.15, 90.00
R / Rfree (%) 16.3 / 18.9

Other elements in 6ix5:

The structure of The Structure of Lepi Complex with Sam and Its Substrate Analogue also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Structure of Lepi Complex with Sam and Its Substrate Analogue (pdb code 6ix5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the The Structure of Lepi Complex with Sam and Its Substrate Analogue, PDB code: 6ix5:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 6ix5

Go back to Chlorine Binding Sites List in 6ix5
Chlorine binding site 1 out of 8 in the The Structure of Lepi Complex with Sam and Its Substrate Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of Lepi Complex with Sam and Its Substrate Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl412

b:19.8
occ:1.00
 O B:HOH614 2.9 18.3 1.0
NE2 B:GLN107 3.2 11.7 1.0
N A:ALA331 3.3 7.0 1.0
NH1 B:ARG97 3.4 19.4 1.0
N A:GLY330 3.4 8.9 1.0
CB A:ALA331 3.6 11.6 1.0
CA A:LYS329 3.7 10.2 1.0
OE1 B:GLN107 3.7 9.7 1.0
C A:LYS329 3.8 7.8 1.0
CG B:ARG97 3.8 16.1 1.0
CD B:GLN107 3.9 11.1 1.0
O A:HOH537 4.0 26.8 1.0
CB B:ARG97 4.0 11.2 1.0
CA A:ALA331 4.0 9.8 1.0
CD B:ARG97 4.2 20.1 1.0
C A:GLY330 4.2 9.1 1.0
CA A:GLY330 4.3 9.1 1.0
O A:GLU328 4.3 14.8 1.0
N A:LYS329 4.4 8.1 1.0
CZ B:ARG97 4.6 26.6 1.0
CA B:ARG97 4.6 9.1 1.0
C A:GLU328 4.6 12.2 1.0
O A:LYS329 4.6 10.5 1.0
O A:PRO327 4.7 9.8 1.0
CB A:LYS329 4.8 12.0 1.0
O A:HOH798 4.8 19.5 1.0
NE B:ARG97 4.9 25.6 1.0
O A:ALA331 4.9 12.7 1.0
O B:ARG97 4.9 7.2 1.0
C A:ALA331 5.0 12.1 1.0

Chlorine binding site 2 out of 8 in 6ix5

Go back to Chlorine Binding Sites List in 6ix5
Chlorine binding site 2 out of 8 in the The Structure of Lepi Complex with Sam and Its Substrate Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of Lepi Complex with Sam and Its Substrate Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl413

b:15.2
occ:1.00
 N A:ASN243 3.2 14.4 1.0
O A:HOH715 3.3 29.1 1.0
CA A:TYR241 3.4 11.8 1.0
C A:TYR241 3.4 8.8 1.0
CB A:ASN243 3.6 11.8 1.0
N A:GLN244 3.6 12.2 1.0
N A:PRO242 3.7 13.4 1.0
CA A:ASN243 3.7 16.0 1.0
CG A:GLN244 3.7 12.7 1.0
CB A:TYR241 3.8 9.4 1.0
C A:ASN243 3.8 23.8 1.0
CD A:PRO242 3.9 13.1 1.0
O A:TYR241 3.9 10.2 1.0
CD1 A:TYR241 4.0 9.9 1.0
C A:PRO242 4.3 17.9 1.0
CG A:TYR241 4.4 8.7 1.0
CB A:GLN244 4.5 9.5 1.0
CA A:GLN244 4.5 8.6 1.0
CG A:ASN243 4.5 23.1 1.0
CA A:PRO242 4.6 14.2 1.0
O A:LYS240 4.6 13.3 1.0
NE2 A:GLN244 4.7 13.2 1.0
CD A:GLN244 4.7 14.1 1.0
N A:TYR241 4.7 10.2 1.0
O A:ASN243 4.7 20.8 1.0
CG A:PRO242 4.7 16.0 1.0

Chlorine binding site 3 out of 8 in 6ix5

Go back to Chlorine Binding Sites List in 6ix5
Chlorine binding site 3 out of 8 in the The Structure of Lepi Complex with Sam and Its Substrate Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Structure of Lepi Complex with Sam and Its Substrate Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl414

b:53.0
occ:1.00
 NE A:ARG132 3.7 13.1 1.0
CZ A:ARG132 3.8 14.9 1.0
NH1 A:ARG132 3.8 13.1 1.0
CD A:ARG132 3.8 10.7 1.0
O A:HOH764 4.0 32.0 1.0
OG A:SER61 4.2 13.3 1.0
OE1 A:GLU128 4.2 17.6 1.0
O A:HOH548 4.2 20.7 1.0
O A:HOH541 4.3 32.6 1.0
CD A:GLU128 4.4 18.0 1.0
OE2 A:GLU128 4.4 19.2 1.0
NH2 A:ARG132 4.4 18.3 1.0
O A:SER61 4.9 14.2 1.0
O A:HOH870 4.9 25.7 1.0
O A:HOH587 4.9 15.4 1.0

Chlorine binding site 4 out of 8 in 6ix5

Go back to Chlorine Binding Sites List in 6ix5
Chlorine binding site 4 out of 8 in the The Structure of Lepi Complex with Sam and Its Substrate Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Structure of Lepi Complex with Sam and Its Substrate Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl415

b:57.3
occ:1.00
 O A:HOH846 2.7 38.3 1.0
O A:HOH616 2.9 20.4 1.0
O A:HOH789 3.2 20.2 1.0
O A:THR198 3.6 15.0 1.0
CD2 B:PHE41 3.7 16.7 1.0
CE2 B:PHE41 3.7 18.3 1.0
NE A:ARG197 3.8 17.7 0.5
CB A:ARG197 3.8 11.7 0.5
CB A:ARG197 3.9 11.1 0.5
CZ A:ARG197 3.9 18.5 0.5
CG A:ARG197 3.9 17.1 0.5
NH1 A:ARG197 4.0 14.9 0.5
CG B:PHE41 4.2 12.7 1.0
CZ B:PHE41 4.2 17.4 1.0
CD A:ARG197 4.2 23.8 0.5
O A:HOH829 4.3 31.1 1.0
CG A:ARG197 4.4 19.9 0.5
N A:THR198 4.4 12.2 1.0
O A:HOH580 4.4 30.6 1.0
CD A:ARG197 4.5 23.9 0.5
O B:HOH577 4.5 21.2 1.0
C A:THR198 4.5 11.1 1.0
NH2 A:ARG197 4.5 16.4 0.5
CA A:ARG197 4.6 10.6 0.5
CD1 B:PHE41 4.6 20.5 1.0
CA A:ARG197 4.6 10.6 0.5
CE1 B:PHE41 4.6 21.7 1.0
C A:ARG197 4.9 13.3 1.0
CB B:PHE41 4.9 12.7 1.0
O A:HOH809 5.0 27.6 1.0

Chlorine binding site 5 out of 8 in 6ix5

Go back to Chlorine Binding Sites List in 6ix5
Chlorine binding site 5 out of 8 in the The Structure of Lepi Complex with Sam and Its Substrate Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Structure of Lepi Complex with Sam and Its Substrate Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl416

b:99.3
occ:1.00
 O A:HOH663 3.2 14.6 1.0
CA A:ALA144 3.5 8.0 1.0
CB A:ALA144 3.7 11.9 1.0
NZ A:LYS167 3.8 16.2 0.4
O A:MET143 3.8 12.1 1.0
N A:ALA144 3.8 8.9 1.0
C A:MET143 4.0 10.3 1.0
CG A:MET143 4.1 13.1 0.6
CE A:LYS167 4.5 28.5 0.6
O A:HOH588 4.6 14.4 1.0
C A:ALA144 4.8 11.5 1.0
CB A:MET143 4.8 6.6 0.6
CD A:LYS167 4.8 19.6 0.6
CB A:MET143 4.8 6.7 0.4
CE A:LYS167 4.8 30.4 0.4
CE A:MET143 4.8 14.2 0.6

Chlorine binding site 6 out of 8 in 6ix5

Go back to Chlorine Binding Sites List in 6ix5
Chlorine binding site 6 out of 8 in the The Structure of Lepi Complex with Sam and Its Substrate Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Structure of Lepi Complex with Sam and Its Substrate Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl410

b:53.6
occ:1.00
 O B:PHE205 3.5 16.7 1.0
C B:THR204 3.8 22.2 1.0
O B:THR204 3.9 18.5 1.0
C B:PHE205 3.9 17.3 1.0
O B:SER203 3.9 21.0 1.0
CA B:THR204 4.0 14.8 1.0
N B:PHE205 4.1 18.1 1.0
NZ B:LYS240 4.3 44.2 1.0
N B:PRO206 4.3 17.7 1.0
O B:HOH533 4.3 19.1 1.0
CA B:PRO206 4.3 20.7 1.0
C B:SER203 4.4 17.7 1.0
O B:LEU202 4.5 17.4 1.0
N B:THR204 4.5 14.3 1.0
CA B:PHE205 4.7 15.5 1.0
OH B:TYR241 5.0 22.6 1.0

Chlorine binding site 7 out of 8 in 6ix5

Go back to Chlorine Binding Sites List in 6ix5
Chlorine binding site 7 out of 8 in the The Structure of Lepi Complex with Sam and Its Substrate Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The Structure of Lepi Complex with Sam and Its Substrate Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl411

b:55.5
occ:1.00
 CD B:ARG132 3.7 8.4 1.0
NE B:ARG132 3.7 10.1 1.0
NH1 B:ARG132 3.8 12.9 1.0
CZ B:ARG132 3.8 15.5 1.0
OG B:SER61 4.0 12.3 1.0
OE1 B:GLU128 4.1 16.7 1.0
O B:HOH597 4.1 20.4 1.0
OE2 B:GLU128 4.1 15.5 1.0
CD B:GLU128 4.1 16.1 1.0
O B:HOH717 4.2 30.6 1.0
NH2 B:ARG132 4.6 17.0 1.0
O B:HOH605 4.7 13.4 1.0
O B:HOH561 4.8 27.6 1.0
O B:SER61 4.8 12.2 1.0
CG B:GLU128 5.0 9.9 1.0

Chlorine binding site 8 out of 8 in 6ix5

Go back to Chlorine Binding Sites List in 6ix5
Chlorine binding site 8 out of 8 in the The Structure of Lepi Complex with Sam and Its Substrate Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of The Structure of Lepi Complex with Sam and Its Substrate Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl412

b:61.7
occ:1.00
 O B:ASP62 3.6 13.4 1.0
N B:GLY64 3.8 9.3 1.0
O B:HOH917 3.8 31.6 1.0
CA B:GLY64 3.8 10.7 1.0
C B:LEU63 4.0 17.0 1.0
O B:LEU63 4.1 18.6 1.0
O B:HOH561 4.3 27.6 1.0
O B:SER61 4.4 12.2 1.0
C B:ASP62 4.5 12.8 1.0
CA B:LEU63 4.8 12.7 1.0
O B:HOH520 4.9 19.0 1.0

Reference:

Y.Cai, Y.Hai, M.Ohashi, C.S.Jamieson, M.Garcia-Borras, K.N.Houk, J.Zhou, Y.Tang. Structural Basis For Stereoselective Dehydration and Hydrogen-Bonding Catalysis By the Sam-Dependent Pericyclase Lepi. Nat.Chem. V. 11 812 2019.
ISSN: ESSN 1755-4349
PubMed: 31332284
DOI: 10.1038/S41557-019-0294-X
Page generated: Sat Dec 12 13:10:54 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