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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

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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

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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

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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

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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

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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

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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

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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

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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: Fri Jul 19 21:48:23 2024

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