Atomistry » Xenon, Xe » PDB 4zzc-6qii » 5a6v
Atomistry »
  Xenon, Xe »
    PDB 4zzc-6qii »
      5a6v »

Xenon in PDB 5a6v: Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Xenon Complex

Enzymatic activity of Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Xenon Complex

All present enzymatic activity of Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Xenon Complex:
3.1.1.3;

Protein crystallography data

The structure of Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Xenon Complex, PDB code: 5a6v was solved by B.Stauch, S.J.Fisher, M.Cianci, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 70.97 / 2.28
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 39.656, 48.890, 71.680, 87.80, 98.07, 108.17
R / Rfree (%) 13.9 / 19.5

Xenon Binding Sites:

The binding sites of Xenon atom in the Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Xenon Complex (pdb code 5a6v). This binding sites where shown within 5.0 Angstroms radius around Xenon atom.
In total 6 binding sites of Xenon where determined in the Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Xenon Complex, PDB code: 5a6v:
Jump to Xenon binding site number: 1; 2; 3; 4; 5; 6;

Xenon binding site 1 out of 6 in 5a6v

Go back to Xenon Binding Sites List in 5a6v
Xenon binding site 1 out of 6 in the Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Xenon Complex


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 1 of Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Xenon Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Xe1321

b:30.6
occ:0.14
XE A:XE1323 3.2 38.4 0.2
CD2 B:LEU219 3.2 40.5 1.0
CD2 A:LEU278 3.7 19.4 1.0
CD1 A:LEU278 3.8 17.5 1.0
CG B:LEU219 3.9 38.8 1.0
CB A:LEU278 4.1 18.0 1.0
CG A:LEU278 4.1 19.4 1.0
O A:LEU278 4.2 20.2 1.0
CB B:LEU219 4.4 33.9 1.0
CD1 A:ILE189 4.5 9.4 1.0
CB A:ALA281 4.5 15.9 1.0
N A:ALA282 4.7 19.3 1.0
CA A:LEU278 4.8 19.6 1.0
CA A:ALA282 4.8 20.6 1.0
C A:ALA281 4.9 18.7 1.0
C A:LEU278 4.9 20.8 1.0

Xenon binding site 2 out of 6 in 5a6v

Go back to Xenon Binding Sites List in 5a6v
Xenon binding site 2 out of 6 in the Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Xenon Complex


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 2 of Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Xenon Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Xe1322

b:33.9
occ:0.18
CD1 A:ILE285 3.7 16.8 1.0
CD1 A:LEU144 3.9 15.4 1.0
O A:HOH2119 4.1 21.7 1.0
CG2 A:VAL154 4.2 7.2 1.0
CD1 B:LEU219 4.2 33.7 1.0
XE A:XE1323 4.2 38.4 0.2
CG2 A:ILE285 4.3 17.3 1.0
CG1 A:VAL154 4.4 7.5 1.0
CG1 A:ILE285 4.5 16.5 1.0
O2 A:IPA1320 4.5 17.6 1.0
CD2 B:LEU219 4.7 40.5 1.0
CG B:LEU219 4.8 38.8 1.0
C3 A:IPA1320 4.9 17.2 1.0
CB A:VAL154 5.0 8.1 1.0
CB A:ILE285 5.0 16.3 1.0

Xenon binding site 3 out of 6 in 5a6v

Go back to Xenon Binding Sites List in 5a6v
Xenon binding site 3 out of 6 in the Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Xenon Complex


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 3 of Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Xenon Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Xe1323

b:38.4
occ:0.16
XE A:XE1321 3.2 30.6 0.1
O A:HOH2101 3.5 16.1 1.0
C3 A:IPA1320 3.5 17.2 1.0
CD1 A:ILE285 3.7 16.8 1.0
XE A:XE1322 4.2 33.9 0.2
O A:THR40 4.2 12.7 1.0
CD2 B:LEU219 4.4 40.5 1.0
CG2 A:ILE189 4.4 9.9 1.0
CB A:THR40 4.6 11.7 1.0
CB A:ALA281 4.8 15.9 1.0
CD2 A:LEU278 4.9 19.4 1.0
CD1 A:ILE189 4.9 9.4 1.0
CG2 A:THR40 4.9 10.0 1.0
C2 A:IPA1320 5.0 18.1 1.0

Xenon binding site 4 out of 6 in 5a6v

Go back to Xenon Binding Sites List in 5a6v
Xenon binding site 4 out of 6 in the Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Xenon Complex


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 4 of Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Xenon Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Xe1324

b:26.8
occ:0.18
CB A:ALA111 3.7 6.7 1.0
CG2 A:VAL101 3.7 7.3 1.0
CD1 A:LEU115 3.7 8.0 1.0
CG2 A:VAL125 3.8 11.1 1.0
O A:ALA111 3.8 7.4 1.0
CG1 A:VAL101 3.8 7.5 1.0
CG A:LEU115 3.9 8.7 1.0
CB A:VAL101 3.9 7.9 1.0
CG1 A:VAL125 4.0 10.3 1.0
SD A:MET83 4.0 18.1 1.0
CA A:ALA111 4.1 7.6 1.0
CD1 A:ILE87 4.1 10.7 1.0
C A:ALA111 4.2 7.5 1.0
CE A:MET83 4.2 13.0 1.0
CD2 A:LEU115 4.2 8.4 1.0
CB A:VAL125 4.4 11.3 1.0
CD1 A:ILE121 4.6 11.0 1.0
CD1 A:LEU128 4.7 6.8 1.0

Xenon binding site 5 out of 6 in 5a6v

Go back to Xenon Binding Sites List in 5a6v
Xenon binding site 5 out of 6 in the Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Xenon Complex


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 5 of Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Xenon Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Xe1320

b:34.0
occ:0.21
O B:ALA111 3.5 9.7 1.0
CD1 B:LEU115 3.6 10.4 1.0
CG B:LEU115 3.6 11.5 1.0
CB B:ALA111 3.8 9.4 1.0
CG2 B:VAL125 3.9 11.9 1.0
SD B:MET83 3.9 12.8 1.0
CA B:ALA111 4.0 10.1 1.0
CD1 B:ILE87 4.0 10.4 1.0
CE B:MET83 4.1 10.7 1.0
C B:ALA111 4.1 10.5 1.0
CG1 B:VAL125 4.1 11.4 1.0
CD2 B:LEU115 4.2 11.1 1.0
CG2 B:VAL101 4.2 8.8 1.0
CG1 B:VAL101 4.3 8.9 1.0
CB B:VAL101 4.4 9.0 1.0
CB B:VAL125 4.5 12.3 1.0
CD1 B:ILE121 4.5 12.5 1.0
CD1 B:LEU128 4.7 9.6 1.0
CB B:LEU115 4.9 11.4 1.0

Xenon binding site 6 out of 6 in 5a6v

Go back to Xenon Binding Sites List in 5a6v
Xenon binding site 6 out of 6 in the Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Xenon Complex


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 6 of Open and Closed Conformations and Protonation States of Candida Antarctica Lipase B: Xenon Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Xe1321

b:21.4
occ:0.17
CA B:SER161 4.0 11.2 1.0
N B:SER161 4.0 11.7 1.0
CG2 B:THR158 4.1 11.2 1.0
C B:GLY160 4.3 13.0 1.0
CZ3 B:TRP155 4.3 11.7 1.0
CE3 B:TRP155 4.3 12.2 1.0
O B:GLY160 4.3 15.1 1.0
CB B:THR158 4.4 12.7 1.0
CB B:SER161 4.5 11.1 1.0
O B:THR158 4.6 14.0 1.0
O B:THR159 4.6 13.9 1.0
OE1 B:GLU294 4.8 16.9 1.0
O B:TRP155 4.8 12.3 1.0

Reference:

B.Stauch, S.J.Fisher, M.Cianci. Open and Closed States of Candida Antarctica Lipase B: Protonation and the Mechanism of Interfacial Activation. J.Lipid Res. V. 56 2348 2015.
ISSN: ISSN 0022-2275
PubMed: 26447231
DOI: 10.1194/JLR.M063388
Page generated: Wed Dec 16 02:40:20 2020

Last articles

Zn in 7M6U
Zn in 7NNG
Zn in 7NEE
Zn in 7NEU
Zn in 7M3K
Zn in 7KWD
Zn in 7KYH
Zn in 7KNG
Zn in 7KY2
Zn in 7KYF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy