Atomistry » Chlorine » PDB 3lcc-3lnj » 3lce
Atomistry »
  Chlorine »
    PDB 3lcc-3lnj »
      3lce »

Chlorine in PDB 3lce: Crystal Structure of Oxa-10 Beta-Lactamase Covalently Bound to Cyclobutanone Beta-Lactam Mimic

Enzymatic activity of Crystal Structure of Oxa-10 Beta-Lactamase Covalently Bound to Cyclobutanone Beta-Lactam Mimic

All present enzymatic activity of Crystal Structure of Oxa-10 Beta-Lactamase Covalently Bound to Cyclobutanone Beta-Lactam Mimic:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of Oxa-10 Beta-Lactamase Covalently Bound to Cyclobutanone Beta-Lactam Mimic, PDB code: 3lce was solved by M.Gretes, N.C.J.Strynadka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 102.06 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 65.700, 82.544, 102.360, 90.00, 94.63, 90.00
R / Rfree (%) 17.8 / 23.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Oxa-10 Beta-Lactamase Covalently Bound to Cyclobutanone Beta-Lactam Mimic (pdb code 3lce). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Oxa-10 Beta-Lactamase Covalently Bound to Cyclobutanone Beta-Lactam Mimic, PDB code: 3lce:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3lce

Go back to Chlorine Binding Sites List in 3lce
Chlorine binding site 1 out of 4 in the Crystal Structure of Oxa-10 Beta-Lactamase Covalently Bound to Cyclobutanone Beta-Lactam Mimic


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 Oxa-10 Beta-Lactamase Covalently Bound to Cyclobutanone Beta-Lactam Mimic within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl269

b:43.5
occ:0.60
 CLAG A:LCE269 0.0 43.5 0.6
CAT A:LCE269 1.7 30.9 0.6
CG2 A:VAL117 2.5 15.1 1.0
CAU A:LCE269 2.6 24.8 0.6
OG A:SER67 2.8 14.7 0.6
CAQ A:LCE269 2.8 32.5 0.6
CLAH A:LCE269 2.9 46.1 0.6
OQ2 A:KCX70 3.1 14.5 1.0
OG A:SER67 3.2 9.1 0.2
OAF A:LCE269 3.4 9.7 0.6
CAS A:LCE269 3.6 25.4 0.6
CD2 A:LEU155 3.6 11.1 1.0
CX A:KCX70 3.9 12.8 1.0
O A:HOH528 4.0 33.8 1.0
CB A:VAL117 4.0 12.1 1.0
NZ A:KCX70 4.0 12.4 1.0
CB A:SER67 4.2 7.8 0.6
SAM A:LCE269 4.3 37.8 0.6
CB A:SER67 4.3 10.2 0.2
O A:HOH334 4.3 37.4 1.0
CG1 A:VAL117 4.5 13.1 1.0
O A:PHE208 4.6 15.2 1.0
CAR A:LCE269 4.7 30.7 0.6
N A:SER67 4.7 6.6 0.6
O A:SER115 4.8 10.6 1.0
N A:SER67 4.8 11.6 0.2
CA A:SER67 4.8 7.9 0.6
CA A:SER67 4.9 10.5 0.2
OQ1 A:KCX70 4.9 11.8 1.0
CA A:VAL117 4.9 11.7 1.0

Chlorine binding site 2 out of 4 in 3lce

Go back to Chlorine Binding Sites List in 3lce
Chlorine binding site 2 out of 4 in the Crystal Structure of Oxa-10 Beta-Lactamase Covalently Bound to Cyclobutanone Beta-Lactam Mimic


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 Oxa-10 Beta-Lactamase Covalently Bound to Cyclobutanone Beta-Lactam Mimic within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl269

b:46.1
occ:0.60
 CLAH A:LCE269 0.0 46.1 0.6
CAT A:LCE269 1.8 30.9 0.6
O A:PHE208 2.3 15.2 1.0
O A:HOH334 2.4 37.4 1.0
CAQ A:LCE269 2.6 32.5 0.6
SAM A:LCE269 2.7 37.8 0.6
OAF A:LCE269 2.8 9.7 0.6
CAU A:LCE269 2.9 24.8 0.6
CLAG A:LCE269 2.9 43.5 0.6
CAS A:LCE269 3.2 25.4 0.6
CAR A:LCE269 3.3 30.7 0.6
C A:PHE208 3.4 15.1 1.0
CAP A:LCE269 3.6 34.0 0.6
CB A:PHE208 3.9 14.6 1.0
CA A:PHE208 4.1 14.0 1.0
OG A:SER67 4.2 14.7 0.6
CD2 A:PHE208 4.2 17.7 1.0
N A:PHE208 4.2 13.9 1.0
CG A:PHE208 4.4 13.9 1.0
N A:SER209 4.5 16.1 1.0
CA A:SER209 4.7 17.4 1.0
CAN A:LCE269 4.7 23.7 0.6
OG A:SER67 4.8 9.1 0.2
C A:SER209 4.9 17.4 1.0
OAK A:LCE269 4.9 35.6 0.6
O A:HOH528 5.0 33.8 1.0

Chlorine binding site 3 out of 4 in 3lce

Go back to Chlorine Binding Sites List in 3lce
Chlorine binding site 3 out of 4 in the Crystal Structure of Oxa-10 Beta-Lactamase Covalently Bound to Cyclobutanone Beta-Lactam Mimic


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 Oxa-10 Beta-Lactamase Covalently Bound to Cyclobutanone Beta-Lactam Mimic within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl270

b:41.3
occ:0.60
 CLAG B:LCE270 0.0 41.3 0.6
CAT B:LCE270 1.7 31.7 0.6
CG2 B:VAL117 2.4 12.2 1.0
CAQ B:LCE270 2.6 33.8 0.6
CAU B:LCE270 2.7 25.9 0.6
OG B:SER67 2.8 18.4 0.6
CLAH B:LCE270 2.9 43.5 0.6
OG B:SER67 3.0 9.6 0.4
CAS B:LCE270 3.4 26.5 0.6
OQ2 B:KCX70 3.4 14.6 1.0
OAF B:LCE270 3.6 12.9 0.6
CB B:VAL117 3.9 11.0 1.0
SAM B:LCE270 4.0 36.4 0.6
NZ B:KCX70 4.1 12.9 1.0
CX B:KCX70 4.1 15.1 1.0
O B:SER115 4.1 10.4 1.0
O B:HOH826 4.1 31.9 1.0
CB B:SER67 4.3 13.4 0.6
CD2 B:LEU155 4.3 17.4 1.0
CB B:SER67 4.3 10.1 0.4
CG1 B:VAL117 4.6 12.3 1.0
CH2 B:TRP102 4.6 17.0 1.0
CZ2 B:TRP102 4.6 16.3 1.0
CAR B:LCE270 4.6 32.4 0.6
CA B:VAL117 4.8 11.3 1.0
N B:VAL117 4.8 11.0 1.0
N B:SER67 4.9 13.2 0.6
CB B:SER115 4.9 12.6 1.0
CA B:SER67 4.9 14.0 0.6
O B:PHE208 4.9 12.7 1.0

Chlorine binding site 4 out of 4 in 3lce

Go back to Chlorine Binding Sites List in 3lce
Chlorine binding site 4 out of 4 in the Crystal Structure of Oxa-10 Beta-Lactamase Covalently Bound to Cyclobutanone Beta-Lactam Mimic


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 Oxa-10 Beta-Lactamase Covalently Bound to Cyclobutanone Beta-Lactam Mimic within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl270

b:43.5
occ:0.60
 CLAH B:LCE270 0.0 43.5 0.6
CAT B:LCE270 1.8 31.7 0.6
O B:PHE208 2.2 12.7 1.0
OAF B:LCE270 2.6 12.9 0.6
CAU B:LCE270 2.8 25.9 0.6
CAQ B:LCE270 2.8 33.8 0.6
CLAG B:LCE270 2.9 41.3 0.6
SAM B:LCE270 3.0 36.4 0.6
CAS B:LCE270 3.4 26.5 0.6
C B:PHE208 3.4 12.6 1.0
CAR B:LCE270 3.6 32.4 0.6
CAP B:LCE270 3.9 35.3 0.6
OG B:SER67 4.0 18.4 0.6
N B:PHE208 4.1 13.0 1.0
CA B:PHE208 4.1 13.3 1.0
CB B:PHE208 4.1 12.6 1.0
CD2 B:PHE208 4.3 15.9 1.0
OG B:SER67 4.4 9.6 0.4
N B:SER209 4.4 12.8 1.0
CG B:PHE208 4.5 13.9 1.0
CA B:SER209 4.6 13.7 1.0
O B:HOH826 4.8 31.9 1.0
C B:SER209 4.8 14.2 1.0
CB B:ALA66 4.8 12.2 1.0
O B:HOH800 5.0 37.4 1.0
CAN B:LCE270 5.0 29.1 0.6

Reference:

J.W.Johnson, M.Gretes, V.J.Goodfellow, L.Marrone, M.L.Heynen, N.C.Strynadka, G.I.Dmitrienko. Cyclobutanone Analogues of Beta-Lactams Revisited: Insights Into Conformational Requirements For Inhibition of Serine- and Metallo-Beta-Lactamases. J.Am.Chem.Soc. V. 132 2558 2010.
ISSN: ISSN 0002-7863
PubMed: 20141132
DOI: 10.1021/JA9086374
Page generated: Sat Dec 12 09:52:57 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