Atomistry » Chlorine » PDB 6izk-6jkx » 6j1p
Atomistry »
  Chlorine »
    PDB 6izk-6jkx »
      6j1p »

Chlorine in PDB 6j1p: Crystal Structure of Candida Antarctica Lipase B Mutant - Sr

Enzymatic activity of Crystal Structure of Candida Antarctica Lipase B Mutant - Sr

All present enzymatic activity of Crystal Structure of Candida Antarctica Lipase B Mutant - Sr:
3.1.1.3;

Protein crystallography data

The structure of Crystal Structure of Candida Antarctica Lipase B Mutant - Sr, PDB code: 6j1p was solved by Y.X.Cen, J.H.Zhou, Q.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.82 / 1.76
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 46.403, 80.013, 72.968, 90.00, 97.96, 90.00
R / Rfree (%) 18 / 20.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Candida Antarctica Lipase B Mutant - Sr (pdb code 6j1p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of Candida Antarctica Lipase B Mutant - Sr, PDB code: 6j1p:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 6j1p

Go back to Chlorine Binding Sites List in 6j1p
Chlorine binding site 1 out of 8 in the Crystal Structure of Candida Antarctica Lipase B Mutant - Sr


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 Candida Antarctica Lipase B Mutant - Sr within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl414

b:51.1
occ:1.00
 O A:HOH640 2.6 35.4 1.0
OG A:SER67 3.0 14.1 1.0
O A:HOH560 3.4 29.6 1.0
CB A:SER67 3.5 14.0 1.0
CD A:PRO45 3.6 12.5 1.0
CG A:PRO45 3.8 19.7 1.0
NE1 A:TRP65 4.0 17.7 1.0
O A:HOH502 4.4 44.9 1.0
CB A:THR43 4.4 18.8 1.0
CD1 A:TRP65 4.5 11.4 1.0
O A:HOH634 4.5 44.0 1.0
O A:HOH512 4.7 38.4 1.0
O A:HOH525 4.8 23.8 1.0
OG1 A:THR43 4.8 18.3 1.0
CG2 A:THR43 4.9 20.0 1.0
CA A:SER67 5.0 13.1 1.0

Chlorine binding site 2 out of 8 in 6j1p

Go back to Chlorine Binding Sites List in 6j1p
Chlorine binding site 2 out of 8 in the Crystal Structure of Candida Antarctica Lipase B Mutant - Sr


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 Candida Antarctica Lipase B Mutant - Sr within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl415

b:49.9
occ:1.00
 O A:ARG309 3.3 23.3 1.0
N A:GLU294 3.4 18.1 1.0
CA A:THR310 3.8 21.4 1.0
C A:ARG309 3.9 24.9 1.0
CB A:CYS293 3.9 24.3 1.0
CA A:CYS293 3.9 21.7 1.0
CG A:ARG309 3.9 40.9 1.0
C A:THR310 4.0 23.9 1.0
N A:THR310 4.2 22.7 1.0
C A:CYS293 4.2 19.9 1.0
O A:THR310 4.2 22.3 1.0
CB A:GLU294 4.2 16.6 1.0
CA A:GLU294 4.4 17.6 1.0
N A:CYS311 4.6 24.2 1.0
O A:GLU294 4.7 19.5 1.0
CB A:ARG309 4.8 35.1 1.0
CD A:ARG309 4.9 46.5 1.0
CA A:ARG309 5.0 28.6 1.0

Chlorine binding site 3 out of 8 in 6j1p

Go back to Chlorine Binding Sites List in 6j1p
Chlorine binding site 3 out of 8 in the Crystal Structure of Candida Antarctica Lipase B Mutant - Sr


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 Candida Antarctica Lipase B Mutant - Sr within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl416

b:69.8
occ:1.00
 O A:HOH533 3.1 44.7 1.0
O A:HOH603 3.4 34.9 1.0
NH2 A:ARG238 3.5 28.8 1.0
O A:HOH548 3.9 26.6 1.0
NH1 A:ARG238 3.9 28.8 1.0
CZ A:ARG238 4.1 28.3 1.0
NE2 A:GLN231 4.4 25.1 1.0
CG2 A:VAL235 4.6 21.1 1.0
OD2 A:ASP257 4.8 28.9 1.0

Chlorine binding site 4 out of 8 in 6j1p

Go back to Chlorine Binding Sites List in 6j1p
Chlorine binding site 4 out of 8 in the Crystal Structure of Candida Antarctica Lipase B Mutant - Sr


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 Candida Antarctica Lipase B Mutant - Sr within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl417

b:66.2
occ:1.00
 N A:LYS13 3.2 20.9 1.0
O1 A:EDO409 3.2 56.3 1.0
C1 A:EDO409 3.4 55.7 1.0
CA A:PRO12 3.6 22.3 1.0
O A:HOH562 3.7 42.8 1.0
C A:PRO12 3.9 21.7 1.0
CB A:PRO12 4.0 26.3 1.0
CB A:LYS13 4.1 28.6 1.0
CA A:LYS13 4.2 23.3 1.0
C2 A:EDO409 4.2 56.8 1.0
O A:GLN11 4.7 23.1 1.0
N A:PRO12 4.9 22.3 1.0

Chlorine binding site 5 out of 8 in 6j1p

Go back to Chlorine Binding Sites List in 6j1p
Chlorine binding site 5 out of 8 in the Crystal Structure of Candida Antarctica Lipase B Mutant - Sr


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 Candida Antarctica Lipase B Mutant - Sr within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl418

b:54.6
occ:1.00
 OE1 A:GLN157 4.1 16.6 1.0
NE2 A:GLN157 4.1 13.6 1.0
CD A:GLN157 4.1 14.0 1.0
OG1 A:THR40 4.2 16.1 1.0
CB A:GLN157 4.5 14.9 1.0
CB A:THR40 4.5 12.4 1.0
CG2 A:THR40 4.5 13.3 1.0
CG2 A:ILE189 4.6 18.0 1.0
CG2 A:VAL154 4.7 21.3 1.0
O A:HOH584 4.7 39.8 1.0
CG2 A:THR138 4.9 18.4 1.0
CG A:GLN157 4.9 15.4 1.0
O A:HOH656 5.0 43.5 1.0
CA A:VAL154 5.0 16.2 1.0

Chlorine binding site 6 out of 8 in 6j1p

Go back to Chlorine Binding Sites List in 6j1p
Chlorine binding site 6 out of 8 in the Crystal Structure of Candida Antarctica Lipase B Mutant - Sr


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 Candida Antarctica Lipase B Mutant - Sr within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl419

b:65.8
occ:1.00
 N A:GLY24 3.2 21.0 1.0
CA A:GLY24 3.9 24.8 1.0
C A:GLN23 4.2 20.1 1.0
CA A:GLN23 4.2 16.7 1.0
O A:CYS22 4.4 18.8 1.0
CG A:GLN23 4.7 25.9 1.0

Chlorine binding site 7 out of 8 in 6j1p

Go back to Chlorine Binding Sites List in 6j1p
Chlorine binding site 7 out of 8 in the Crystal Structure of Candida Antarctica Lipase B Mutant - Sr


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 Candida Antarctica Lipase B Mutant - Sr within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl415

b:47.3
occ:1.00
 O B:HOH607 2.8 33.6 1.0
OH B:TYR203 3.3 26.8 1.0
N B:ASN206 3.4 16.7 1.0
CA B:PHE205 4.0 15.7 1.0
CD2 B:PHE205 4.1 21.8 1.0
CE1 B:TYR203 4.2 23.4 1.0
CZ B:TYR203 4.2 25.9 1.0
CA B:ASN206 4.3 16.4 1.0
C B:PHE205 4.3 15.2 1.0
CB B:PHE205 4.5 16.8 1.0
O B:HOH605 4.7 32.6 1.0
CG B:PHE205 4.8 19.5 1.0
ND2 B:ASN206 4.9 21.2 1.0
O B:LEU204 5.0 16.6 1.0

Chlorine binding site 8 out of 8 in 6j1p

Go back to Chlorine Binding Sites List in 6j1p
Chlorine binding site 8 out of 8 in the Crystal Structure of Candida Antarctica Lipase B Mutant - Sr


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 Candida Antarctica Lipase B Mutant - Sr within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl416

b:61.9
occ:1.00
 O B:ASN169 3.8 17.0 1.0
O B:ARG168 4.3 13.7 1.0
O B:HOH587 4.4 33.2 1.0
O B:HOH515 4.4 30.1 1.0
C B:ASN169 4.4 16.6 1.0
N B:GLY171 4.5 16.9 1.0
CA B:GLY171 4.5 15.9 1.0
CA B:ASN169 4.8 16.7 1.0
O B:HOH537 4.9 29.9 1.0
O B:HOH528 5.0 16.8 1.0

Reference:

J.Xu, Y.Cen, W.Singh, J.Fan, L.Wu, X.Lin, J.Zhou, M.Huang, M.T.Reetz, Q.Wu. Stereodivergent Protein Engineering of A Lipase to Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters. J.Am.Chem.Soc. V. 141 7934 2019.
ISSN: ESSN 1520-5126
PubMed: 31023008
DOI: 10.1021/JACS.9B02709
Page generated: Sun Jul 28 02:01:55 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy