Atomistry » Chlorine » PDB 1e3a-1exv » 1ekj
Atomistry »
  Chlorine »
    PDB 1e3a-1exv »
      1ekj »

Chlorine in PDB 1ekj: The X-Ray Crystallographic Structure of Beta Carbonic Anhydrase From the C3 Dicot Pisum Sativum

Enzymatic activity of The X-Ray Crystallographic Structure of Beta Carbonic Anhydrase From the C3 Dicot Pisum Sativum

All present enzymatic activity of The X-Ray Crystallographic Structure of Beta Carbonic Anhydrase From the C3 Dicot Pisum Sativum:
4.2.1.1;

Protein crystallography data

The structure of The X-Ray Crystallographic Structure of Beta Carbonic Anhydrase From the C3 Dicot Pisum Sativum, PDB code: 1ekj was solved by M.S.Kimber, E.F.Pai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 1.93
Space group C 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 136.909, 143.318, 202.135, 90.00, 90.00, 90.00
R / Rfree (%) 22.9 / 25

Other elements in 1ekj:

The structure of The X-Ray Crystallographic Structure of Beta Carbonic Anhydrase From the C3 Dicot Pisum Sativum also contains other interesting chemical elements:

Copper (Cu) 4 atoms
Zinc (Zn) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The X-Ray Crystallographic Structure of Beta Carbonic Anhydrase From the C3 Dicot Pisum Sativum (pdb code 1ekj). 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 X-Ray Crystallographic Structure of Beta Carbonic Anhydrase From the C3 Dicot Pisum Sativum, PDB code: 1ekj:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 1ekj

Go back to Chlorine Binding Sites List in 1ekj
Chlorine binding site 1 out of 8 in the The X-Ray Crystallographic Structure of Beta Carbonic Anhydrase From the C3 Dicot Pisum Sativum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The X-Ray Crystallographic Structure of Beta Carbonic Anhydrase From the C3 Dicot Pisum Sativum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2007

b:52.6
occ:1.00
 O B:HOH1402 3.0 47.1 1.0
OG1 A:THR199 3.1 43.7 1.0
O B:HOH1482 3.2 41.3 1.0
N A:THR199 3.3 46.3 1.0
O A:HOH1470 3.4 52.9 1.0
CA A:TYR196 3.4 41.6 1.0
C A:TYR196 3.6 42.1 1.0
N A:GLY198 3.7 41.6 1.0
CB A:TYR196 3.7 40.0 1.0
O A:TYR196 3.7 41.2 1.0
CB A:THR199 3.8 46.4 1.0
CD2 A:TYR196 3.9 37.3 1.0
CA A:GLY198 3.9 43.0 1.0
CZ3 A:TRP246 4.1 43.0 1.0
C A:GLY198 4.1 45.1 1.0
CA A:THR199 4.1 46.7 1.0
CH2 A:TRP246 4.2 42.0 1.0
N A:ALA197 4.2 41.5 1.0
CG A:TYR196 4.3 37.5 1.0
O A:LYS195 4.4 40.9 1.0
CG A:PRO189 4.4 39.3 1.0
CL B:CL2008 4.5 56.2 1.0
C A:ALA197 4.6 41.4 1.0
N A:TYR196 4.7 41.9 1.0
CE2 A:TYR196 5.0 35.4 1.0

Chlorine binding site 2 out of 8 in 1ekj

Go back to Chlorine Binding Sites List in 1ekj
Chlorine binding site 2 out of 8 in the The X-Ray Crystallographic Structure of Beta Carbonic Anhydrase From the C3 Dicot Pisum Sativum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The X-Ray Crystallographic Structure of Beta Carbonic Anhydrase From the C3 Dicot Pisum Sativum within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl2008

b:56.2
occ:1.00
 OG1 B:THR199 2.9 41.2 1.0
O B:HOH1482 2.9 41.3 1.0
O A:HOH1470 3.0 52.9 1.0
N B:THR199 3.1 41.8 1.0
O B:HOH1402 3.4 47.1 1.0
CB B:THR199 3.6 41.8 1.0
CA B:TYR196 3.6 41.4 1.0
N B:GLY198 3.8 40.5 1.0
CA B:GLY198 3.8 40.7 1.0
C B:TYR196 3.9 40.1 1.0
CB B:TYR196 3.9 43.1 1.0
C B:GLY198 3.9 41.4 1.0
CD2 B:TYR196 3.9 47.0 1.0
CA B:THR199 3.9 41.1 1.0
O B:TYR196 4.0 41.5 1.0
CZ3 B:TRP246 4.0 38.0 1.0
CH2 B:TRP246 4.2 38.1 1.0
CG B:PRO189 4.3 49.8 1.0
CG B:TYR196 4.4 46.1 1.0
O B:HOH1492 4.4 48.2 1.0
CL A:CL2007 4.5 52.6 1.0
N B:ALA197 4.5 39.8 1.0
O B:LYS195 4.6 42.2 1.0
C B:ALA197 4.8 40.2 1.0
N B:TYR196 4.9 41.7 1.0

Chlorine binding site 3 out of 8 in 1ekj

Go back to Chlorine Binding Sites List in 1ekj
Chlorine binding site 3 out of 8 in the The X-Ray Crystallographic Structure of Beta Carbonic Anhydrase From the C3 Dicot Pisum Sativum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The X-Ray Crystallographic Structure of Beta Carbonic Anhydrase From the C3 Dicot Pisum Sativum within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl2004

b:32.3
occ:1.00
 OG1 C:THR199 2.8 28.0 1.0
O C:HOH1043 2.9 26.4 1.0
O C:HOH1395 3.1 42.2 1.0
N C:THR199 3.3 25.2 1.0
CA C:TYR196 3.4 25.6 1.0
O D:HOH1048 3.4 25.7 1.0
CB C:THR199 3.6 26.9 1.0
C C:TYR196 3.7 25.5 1.0
CB C:TYR196 3.8 25.0 1.0
O C:TYR196 3.8 25.8 1.0
CD2 C:TYR196 3.9 25.8 1.0
CZ3 C:TRP246 3.9 25.7 1.0
N C:GLY198 3.9 19.8 1.0
CA C:THR199 4.0 26.3 1.0
CH2 C:TRP246 4.0 26.8 1.0
C C:GLY198 4.2 22.9 1.0
CA C:GLY198 4.2 21.1 1.0
CG C:PRO189 4.3 30.7 1.0
CG C:TYR196 4.3 23.9 1.0
N C:ALA197 4.3 21.8 1.0
O C:HOH1141 4.4 28.7 1.0
O C:LYS195 4.5 25.8 1.0
CL D:CL2003 4.6 34.5 1.0
N C:TYR196 4.7 25.4 1.0
C C:ALA197 4.8 21.4 1.0
O C:HOH1318 4.9 38.2 1.0
CE2 C:TYR196 5.0 25.6 1.0
CD C:PRO189 5.0 28.5 1.0

Chlorine binding site 4 out of 8 in 1ekj

Go back to Chlorine Binding Sites List in 1ekj
Chlorine binding site 4 out of 8 in the The X-Ray Crystallographic Structure of Beta Carbonic Anhydrase From the C3 Dicot Pisum Sativum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The X-Ray Crystallographic Structure of Beta Carbonic Anhydrase From the C3 Dicot Pisum Sativum within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl2003

b:34.5
occ:1.00
 O D:HOH1048 3.0 25.7 1.0
OG1 D:THR199 3.1 24.1 1.0
O C:HOH1395 3.1 42.2 1.0
N D:THR199 3.3 21.8 1.0
CA D:TYR196 3.5 22.0 1.0
O C:HOH1043 3.5 26.4 1.0
CB D:THR199 3.6 23.8 1.0
CB D:TYR196 3.7 21.6 1.0
C D:TYR196 3.7 20.7 1.0
O D:TYR196 3.8 22.6 1.0
N D:GLY198 3.9 22.9 1.0
CD2 D:TYR196 3.9 18.8 1.0
CZ3 D:TRP246 4.0 23.9 1.0
CA D:THR199 4.0 20.8 1.0
CA D:GLY198 4.1 21.6 1.0
C D:GLY198 4.1 22.0 1.0
CH2 D:TRP246 4.2 25.0 1.0
CG D:PRO189 4.2 22.3 1.0
CG D:TYR196 4.3 18.4 1.0
N D:ALA197 4.3 20.7 1.0
O C:HOH1318 4.4 38.2 1.0
O D:HOH1223 4.5 34.1 1.0
O D:LYS195 4.6 25.0 1.0
CL C:CL2004 4.6 32.3 1.0
C D:ALA197 4.7 22.2 1.0
N D:TYR196 4.8 22.8 1.0

Chlorine binding site 5 out of 8 in 1ekj

Go back to Chlorine Binding Sites List in 1ekj
Chlorine binding site 5 out of 8 in the The X-Ray Crystallographic Structure of Beta Carbonic Anhydrase From the C3 Dicot Pisum Sativum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The X-Ray Crystallographic Structure of Beta Carbonic Anhydrase From the C3 Dicot Pisum Sativum within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl2006

b:49.9
occ:1.00
 OG1 E:THR199 2.9 40.5 1.0
N E:THR199 3.1 39.2 1.0
O F:HOH1081 3.1 31.6 1.0
O F:HOH1201 3.4 39.2 1.0
CA E:TYR196 3.5 33.9 1.0
O E:TYR196 3.5 34.0 1.0
CB E:THR199 3.6 40.0 1.0
C E:TYR196 3.7 33.9 1.0
CB E:TYR196 3.7 35.1 1.0
N E:GLY198 3.8 37.7 1.0
CA E:GLY198 3.8 38.9 1.0
C E:GLY198 3.9 39.1 1.0
CD2 E:TYR196 3.9 33.5 1.0
CA E:THR199 3.9 39.1 1.0
CZ3 E:TRP246 4.1 39.0 1.0
CH2 E:TRP246 4.2 40.9 1.0
CG E:TYR196 4.3 34.0 1.0
CG E:PRO189 4.4 36.1 1.0
N E:ALA197 4.5 34.4 1.0
CL F:CL2005 4.6 43.7 1.0
O E:LYS195 4.6 35.2 1.0
C E:ALA197 4.7 37.0 1.0
N E:TYR196 4.8 34.9 1.0

Chlorine binding site 6 out of 8 in 1ekj

Go back to Chlorine Binding Sites List in 1ekj
Chlorine binding site 6 out of 8 in the The X-Ray Crystallographic Structure of Beta Carbonic Anhydrase From the C3 Dicot Pisum Sativum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The X-Ray Crystallographic Structure of Beta Carbonic Anhydrase From the C3 Dicot Pisum Sativum within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl2005

b:43.7
occ:1.00
 OG1 F:THR199 2.8 36.6 1.0
O F:HOH1201 3.1 39.2 1.0
N F:THR199 3.2 35.3 1.0
CA F:TYR196 3.6 30.2 1.0
CB F:THR199 3.6 36.0 1.0
O F:HOH1081 3.7 31.6 1.0
C F:TYR196 3.7 30.4 1.0
O F:TYR196 3.8 30.2 1.0
N F:GLY198 3.8 34.5 1.0
CB F:TYR196 3.9 28.3 1.0
CA F:GLY198 4.0 35.2 1.0
CD2 F:TYR196 4.0 30.4 1.0
CA F:THR199 4.0 34.8 1.0
CH2 F:TRP246 4.1 38.7 1.0
C F:GLY198 4.1 35.3 1.0
CZ3 F:TRP246 4.1 40.5 1.0
O F:HOH1484 4.1 50.2 1.0
CG F:PRO189 4.3 31.9 1.0
N F:ALA197 4.4 28.7 1.0
CG F:TYR196 4.4 27.7 1.0
O F:LYS195 4.5 29.6 1.0
CL E:CL2006 4.6 49.9 1.0
C F:ALA197 4.7 33.6 1.0
N F:TYR196 4.8 32.6 1.0
CD F:PRO189 4.9 30.9 1.0
CG2 F:THR199 5.0 36.3 1.0

Chlorine binding site 7 out of 8 in 1ekj

Go back to Chlorine Binding Sites List in 1ekj
Chlorine binding site 7 out of 8 in the The X-Ray Crystallographic Structure of Beta Carbonic Anhydrase From the C3 Dicot Pisum Sativum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The X-Ray Crystallographic Structure of Beta Carbonic Anhydrase From the C3 Dicot Pisum Sativum within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl2002

b:33.0
occ:1.00
 OG1 G:THR199 2.9 25.4 1.0
O H:HOH1098 3.0 25.7 1.0
O H:HOH1303 3.2 38.8 1.0
N G:THR199 3.2 20.7 1.0
O G:HOH1086 3.2 29.9 1.0
CA G:TYR196 3.4 19.8 1.0
CB G:THR199 3.6 22.1 1.0
C G:TYR196 3.6 22.5 1.0
CB G:TYR196 3.8 20.7 1.0
N G:GLY198 3.8 20.7 1.0
O G:TYR196 3.8 20.7 1.0
CA G:THR199 4.0 21.3 1.0
CD2 G:TYR196 4.0 21.4 1.0
C G:GLY198 4.1 21.1 1.0
CA G:GLY198 4.1 20.4 1.0
CZ3 G:TRP246 4.1 24.6 1.0
CH2 G:TRP246 4.2 18.6 1.0
N G:ALA197 4.3 20.2 1.0
CL H:CL2001 4.4 30.5 1.0
O G:LYS195 4.4 20.5 1.0
CG G:TYR196 4.4 17.4 1.0
CG G:PRO189 4.4 23.3 1.0
O G:HOH1205 4.5 41.5 1.0
C G:ALA197 4.7 22.7 1.0
N G:TYR196 4.7 21.7 1.0

Chlorine binding site 8 out of 8 in 1ekj

Go back to Chlorine Binding Sites List in 1ekj
Chlorine binding site 8 out of 8 in the The X-Ray Crystallographic Structure of Beta Carbonic Anhydrase From the C3 Dicot Pisum Sativum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of The X-Ray Crystallographic Structure of Beta Carbonic Anhydrase From the C3 Dicot Pisum Sativum within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl2001

b:30.5
occ:1.00
 O G:HOH1086 2.9 29.9 1.0
O H:HOH1303 3.0 38.8 1.0
OG1 H:THR199 3.1 26.4 1.0
N H:THR199 3.3 19.2 1.0
O H:HOH1098 3.4 25.7 1.0
CA H:TYR196 3.5 18.8 1.0
C H:TYR196 3.7 19.3 1.0
CB H:TYR196 3.7 19.3 1.0
O H:TYR196 3.8 20.0 1.0
CB H:THR199 3.8 21.5 1.0
N H:GLY198 3.8 22.2 1.0
CD2 H:TYR196 3.9 17.7 1.0
CZ3 H:TRP246 4.0 18.1 1.0
CA H:GLY198 4.0 20.1 1.0
C H:GLY198 4.1 21.5 1.0
CA H:THR199 4.2 17.2 1.0
CH2 H:TRP246 4.2 18.8 1.0
CG H:TYR196 4.3 18.9 1.0
N H:ALA197 4.3 21.3 1.0
CG H:PRO189 4.3 17.6 1.0
CL G:CL2002 4.4 33.0 1.0
O H:HOH1075 4.5 30.4 1.0
O H:LYS195 4.6 24.0 1.0
N H:TYR196 4.7 18.3 1.0
C H:ALA197 4.8 21.3 1.0

Reference:

M.S.Kimber, E.F.Pai. The Active Site Architecture of Pisum Sativum Beta-Carbonic Anhydrase Is A Mirror Image of That of Alpha-Carbonic Anhydrases. Embo J. V. 19 1407 2000.
ISSN: ISSN 0261-4189
PubMed: 10747009
DOI: 10.1093/EMBOJ/19.7.1407
Page generated: Sat Dec 12 08:34:41 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy