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Chlorine in PDB 3ocf: Crystal Structure of Fumarate Lyase:Delta Crystallin From Brucella Melitensis in Native Form

Enzymatic activity of Crystal Structure of Fumarate Lyase:Delta Crystallin From Brucella Melitensis in Native Form

All present enzymatic activity of Crystal Structure of Fumarate Lyase:Delta Crystallin From Brucella Melitensis in Native Form:
4.3.1.1;

Protein crystallography data

The structure of Crystal Structure of Fumarate Lyase:Delta Crystallin From Brucella Melitensis in Native Form, PDB code: 3ocf 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 / 2.10
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 86.230, 86.460, 105.160, 90.00, 91.91, 90.00
R / Rfree (%) 17.1 / 22.7

Chlorine Binding Sites:

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

Chlorine binding site 1 out of 4 in 3ocf

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


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 in Native Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl458

b:23.5
occ:1.00
 O A:HOH581 2.9 29.3 1.0
NH2 A:ARG373 3.3 45.5 1.0
N A:ALA43 3.4 19.1 1.0
CA A:ILE41 3.5 22.5 1.0
C A:ILE41 3.5 22.9 1.0
N A:PRO42 3.6 21.8 1.0
CB A:ALA43 3.7 19.1 1.0
O A:HOH531 3.7 29.3 1.0
CD A:PRO42 3.8 22.1 1.0
CB A:ILE41 3.9 23.2 1.0
CA A:ALA43 4.1 19.3 1.0
CD1 A:LEU369 4.1 20.1 1.0
O A:ILE41 4.2 22.9 1.0
CG A:PRO42 4.2 21.5 1.0
CG2 A:ILE41 4.3 20.2 1.0
CB A:LEU369 4.3 19.5 1.0
CD2 A:LEU369 4.4 21.8 1.0
CZ A:ARG373 4.4 45.6 1.0
C A:PRO42 4.4 20.3 1.0
CG A:LEU369 4.5 20.9 1.0
CA A:PRO42 4.5 21.6 1.0
O A:HIS40 4.5 25.0 1.0
N A:ILE41 4.7 23.8 1.0
NH1 A:ARG373 4.9 48.1 1.0
OG A:SER155 5.0 21.5 1.0

Chlorine binding site 2 out of 4 in 3ocf

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


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 in Native Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl458

b:29.9
occ:1.00
 NH1 B:ARG373 3.3 49.5 1.0
N B:ALA43 3.4 22.9 1.0
CB B:ALA43 3.5 21.6 1.0
CD B:PRO42 3.5 22.6 1.0
N B:PRO42 3.6 23.0 1.0
CA B:ILE41 3.6 22.7 1.0
C B:ILE41 3.6 23.2 1.0
O B:HOH537 3.8 36.7 1.0
CG B:PRO42 4.0 22.3 1.0
CA B:ALA43 4.1 22.6 1.0
CB B:ILE41 4.1 22.4 1.0
O B:ILE41 4.3 23.7 1.0
CG2 B:ILE41 4.3 21.3 1.0
CD1 B:LEU369 4.4 16.3 1.0
C B:PRO42 4.4 23.8 1.0
CD2 B:LEU369 4.5 20.9 1.0
CA B:PRO42 4.5 23.3 1.0
CB B:LEU369 4.5 18.1 1.0
CZ B:ARG373 4.5 47.6 1.0
O B:HIS40 4.6 23.5 1.0
CG B:LEU369 4.7 18.6 1.0
N B:ILE41 4.8 23.3 1.0
NH2 B:ARG373 4.9 49.3 1.0
OG B:SER155 4.9 31.3 1.0
CB B:PRO42 4.9 23.7 1.0

Chlorine binding site 3 out of 4 in 3ocf

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


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 in Native Form within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl458

b:33.3
occ:1.00
 N C:ALA43 3.5 29.6 1.0
CD C:PRO42 3.5 31.5 1.0
N C:PRO42 3.5 31.6 1.0
C C:ILE41 3.5 31.4 1.0
CA C:ILE41 3.5 30.8 1.0
CB C:ALA43 3.7 27.6 1.0
NH1 C:ARG373 4.1 52.2 1.0
CD1 C:LEU369 4.1 25.2 1.0
CB C:ILE41 4.1 30.9 1.0
CG C:PRO42 4.1 32.1 1.0
CA C:ALA43 4.2 29.4 1.0
O C:ILE41 4.2 30.7 1.0
CD2 C:LEU369 4.3 21.3 1.0
C C:PRO42 4.5 31.3 1.0
CG C:LEU369 4.5 24.9 1.0
CB C:LEU369 4.5 23.1 1.0
CA C:PRO42 4.5 32.6 1.0
CG2 C:ILE41 4.5 29.6 1.0
O C:HIS40 4.6 33.0 1.0
N C:ILE41 4.7 32.1 1.0
CZ C:ARG373 5.0 52.8 1.0

Chlorine binding site 4 out of 4 in 3ocf

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


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 in Native Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl458

b:24.4
occ:1.00
 N D:ALA43 3.4 20.5 1.0
CB D:ALA43 3.5 19.9 1.0
CA D:ILE41 3.6 20.8 1.0
CD D:PRO42 3.6 20.9 1.0
C D:ILE41 3.6 20.4 1.0
N D:PRO42 3.7 20.0 1.0
NH2 D:ARG373 3.7 46.1 1.0
CB D:ILE41 4.0 20.7 1.0
CA D:ALA43 4.1 20.8 1.0
CG D:PRO42 4.1 20.3 1.0
O D:ILE41 4.1 20.2 1.0
CG2 D:ILE41 4.3 19.9 1.0
CD1 D:LEU369 4.3 17.0 1.0
CB D:LEU369 4.5 17.6 1.0
CD2 D:LEU369 4.5 19.2 1.0
C D:PRO42 4.5 21.0 1.0
CG D:LEU369 4.6 19.4 1.0
CA D:PRO42 4.6 20.4 1.0
O D:HIS40 4.6 22.0 1.0
CZ D:ARG373 4.8 45.6 1.0
N D:ILE41 4.8 21.4 1.0
N D:LEU44 5.0 20.9 1.0
OG D:SER155 5.0 21.6 1.0

Reference:

T.E.Edwards, T.L.Arakaki, B.Sankaran. Crystal Structure of Fumarate Lyase:Delta Crystallin From Brucella Melitensis in Native Form To Be Published.
Page generated: Fri Jul 11 08:39:31 2025

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