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Chlorine in PDB 3oce: Crystal Structure of Fumarate Lyase:Delta Crystallin From Brucella Melitensis Bound to Cobalt

Enzymatic activity of Crystal Structure of Fumarate Lyase:Delta Crystallin From Brucella Melitensis Bound to Cobalt

All present enzymatic activity of Crystal Structure of Fumarate Lyase:Delta Crystallin From Brucella Melitensis Bound to Cobalt:
4.3.1.1;

Protein crystallography data

The structure of Crystal Structure of Fumarate Lyase:Delta Crystallin From Brucella Melitensis Bound to Cobalt, PDB code: 3oce was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.58
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 95.330, 113.550, 236.860, 90.00, 90.00, 90.00
R / Rfree (%) 19.6 / 24.5

Other elements in 3oce:

The structure of Crystal Structure of Fumarate Lyase:Delta Crystallin From Brucella Melitensis Bound to Cobalt also contains other interesting chemical elements:

Cobalt (Co) 12 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Fumarate Lyase:Delta Crystallin From Brucella Melitensis Bound to Cobalt (pdb code 3oce). 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 Fumarate Lyase:Delta Crystallin From Brucella Melitensis Bound to Cobalt, PDB code: 3oce:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3oce

Go back to Chlorine Binding Sites List in 3oce
Chlorine binding site 1 out of 4 in the Crystal Structure of Fumarate Lyase:Delta Crystallin From Brucella Melitensis Bound to Cobalt


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 Fumarate Lyase:Delta Crystallin From Brucella Melitensis Bound to Cobalt within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl474

b:42.9
occ:1.00
 N A:ALA43 3.6 17.7 1.0
CD A:PRO42 3.6 19.8 1.0
CB A:ALA43 3.7 15.7 1.0
CA A:ILE41 3.7 20.7 1.0
N A:PRO42 3.7 19.8 1.0
C A:ILE41 3.7 20.5 1.0
CG A:PRO42 3.9 18.9 1.0
CA A:ALA43 4.2 17.0 1.0
CB A:ILE41 4.3 20.3 1.0
O A:ILE41 4.3 20.2 1.0
O A:HIS40 4.4 22.4 1.0
CG2 A:ILE41 4.5 20.1 1.0
CD2 A:LEU369 4.5 11.5 1.0
C A:PRO42 4.6 18.2 1.0
CD1 A:LEU369 4.6 13.6 1.0
CA A:PRO42 4.6 19.2 1.0
CB A:LEU369 4.7 13.0 1.0
CG A:LEU369 4.8 14.3 1.0
OG A:SER155 4.8 23.1 1.0
N A:ILE41 4.9 21.7 1.0
CB A:PRO42 4.9 19.6 1.0

Chlorine binding site 2 out of 4 in 3oce

Go back to Chlorine Binding Sites List in 3oce
Chlorine binding site 2 out of 4 in the Crystal Structure of Fumarate Lyase:Delta Crystallin From Brucella Melitensis Bound to Cobalt


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 Fumarate Lyase:Delta Crystallin From Brucella Melitensis Bound to Cobalt within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl474

b:23.8
occ:1.00
 N B:ALA43 3.4 20.1 1.0
CB B:ALA43 3.5 19.0 1.0
CD B:PRO42 3.6 22.6 1.0
NH1 B:ARG373 3.6 40.5 1.0
N B:PRO42 3.7 22.5 1.0
C B:ILE41 3.7 22.9 1.0
CA B:ILE41 3.9 22.9 1.0
CG B:PRO42 3.9 22.0 1.0
CA B:ALA43 4.0 19.3 1.0
O B:ILE41 4.2 23.4 1.0
CD1 B:LEU369 4.2 13.4 1.0
CB B:ILE41 4.4 22.3 1.0
C B:PRO42 4.4 20.9 1.0
CD2 B:LEU369 4.5 13.5 1.0
CA B:PRO42 4.5 21.7 1.0
CB B:LEU369 4.6 15.4 1.0
CG2 B:ILE41 4.7 21.7 1.0
CG B:LEU369 4.7 15.1 1.0
O B:HIS40 4.8 24.6 1.0
CB B:PRO42 4.8 21.6 1.0
CZ B:ARG373 5.0 41.4 1.0

Chlorine binding site 3 out of 4 in 3oce

Go back to Chlorine Binding Sites List in 3oce
Chlorine binding site 3 out of 4 in the Crystal Structure of Fumarate Lyase:Delta Crystallin From Brucella Melitensis Bound to Cobalt


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 Fumarate Lyase:Delta Crystallin From Brucella Melitensis Bound to Cobalt within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl474

b:23.3
occ:1.00
 O C:HOH569 2.7 17.1 1.0
NH1 C:ARG373 3.1 39.8 1.0
CA C:ILE41 3.5 25.3 1.0
N C:ALA43 3.5 22.3 1.0
CD C:PRO42 3.6 24.7 1.0
C C:ILE41 3.6 25.0 1.0
N C:PRO42 3.6 24.7 1.0
CB C:ALA43 3.7 20.4 1.0
CB C:ILE41 3.9 24.8 1.0
CA C:ALA43 4.2 20.9 1.0
CG C:PRO42 4.2 24.0 1.0
CZ C:ARG373 4.2 40.1 1.0
CG2 C:ILE41 4.3 24.9 1.0
O C:ILE41 4.3 24.5 1.0
CD1 C:LEU369 4.3 13.6 1.0
CD2 C:LEU369 4.4 16.1 1.0
CB C:LEU369 4.5 16.5 1.0
C C:PRO42 4.5 23.4 1.0
NE C:ARG373 4.5 36.9 1.0
CA C:PRO42 4.6 24.0 1.0
CG C:LEU369 4.7 15.7 1.0
O C:HIS40 4.7 27.7 1.0
N C:ILE41 4.8 26.7 1.0

Chlorine binding site 4 out of 4 in 3oce

Go back to Chlorine Binding Sites List in 3oce
Chlorine binding site 4 out of 4 in the Crystal Structure of Fumarate Lyase:Delta Crystallin From Brucella Melitensis Bound to Cobalt


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 Fumarate Lyase:Delta Crystallin From Brucella Melitensis Bound to Cobalt within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl474

b:27.8
occ:1.00
 N D:ALA43 3.5 23.0 1.0
CB D:ALA43 3.6 22.0 1.0
CA D:ILE41 3.8 25.0 1.0
C D:ILE41 3.8 25.2 1.0
N D:PRO42 3.8 25.1 1.0
CD D:PRO42 3.8 25.4 1.0
CD1 D:LEU369 4.0 17.6 1.0
CG D:PRO42 4.2 24.8 1.0
CA D:ALA43 4.2 22.5 1.0
CB D:ILE41 4.3 24.3 1.0
O D:ILE41 4.4 24.8 1.0
CG2 D:ILE41 4.4 23.2 1.0
CD2 D:LEU369 4.4 16.8 1.0
C D:PRO42 4.6 23.9 1.0
CG D:LEU369 4.6 18.9 1.0
O D:HIS40 4.6 27.6 1.0
CB D:LEU369 4.6 17.1 1.0
CA D:PRO42 4.7 24.5 1.0
OG D:SER155 4.9 27.7 1.0
N D:ILE41 5.0 26.3 1.0

Reference:

T.E.Edwards, T.L.Arakaki, B.Sankaran. Crystal Structure of Fumarate Lyase:Delta Crystallin From Brucella Melitensis Bound to Cobalt To Be Published.
Page generated: Fri Jul 11 08:39:07 2025

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