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Chlorine in PDB 1jol: The Crystal Structure of the Binary Complex Between Folinic Acid (Leucovorin) and E. Coli Dihydrofolate Reductase

Enzymatic activity of The Crystal Structure of the Binary Complex Between Folinic Acid (Leucovorin) and E. Coli Dihydrofolate Reductase

All present enzymatic activity of The Crystal Structure of the Binary Complex Between Folinic Acid (Leucovorin) and E. Coli Dihydrofolate Reductase:
1.5.1.3;

Protein crystallography data

The structure of The Crystal Structure of the Binary Complex Between Folinic Acid (Leucovorin) and E. Coli Dihydrofolate Reductase, PDB code: 1jol was solved by H.Lee, V.M.Reyes, J.Kraut, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 1.96
Space group P 61
Cell size a, b, c (Å), α, β, γ (°) 92.577, 92.577, 73.132, 90.00, 90.00, 120.00
R / Rfree (%) 14.2 / n/a

Other elements in 1jol:

The structure of The Crystal Structure of the Binary Complex Between Folinic Acid (Leucovorin) and E. Coli Dihydrofolate Reductase also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of the Binary Complex Between Folinic Acid (Leucovorin) and E. Coli Dihydrofolate Reductase (pdb code 1jol). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Crystal Structure of the Binary Complex Between Folinic Acid (Leucovorin) and E. Coli Dihydrofolate Reductase, PDB code: 1jol:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 1jol

Go back to Chlorine Binding Sites List in 1jol
Chlorine binding site 1 out of 2 in the The Crystal Structure of the Binary Complex Between Folinic Acid (Leucovorin) and E. Coli Dihydrofolate Reductase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of the Binary Complex Between Folinic Acid (Leucovorin) and E. Coli Dihydrofolate Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:16.9
occ:1.00
 O A:HOH464 3.0 21.7 1.0
N A:GLY96 3.0 15.4 1.0
N A:THR46 3.3 7.6 1.0
O A:HOH597 3.3 66.5 1.0
OG1 A:THR46 3.4 12.5 1.0
O A:HOH436 3.4 37.5 1.0
N A:HIS45 3.5 6.6 1.0
CA A:GLY43 3.5 12.8 1.0
C A:GLY43 3.6 12.2 1.0
CB A:HIS45 3.6 11.2 1.0
CA A:GLY96 3.7 12.0 1.0
O A:GLY43 3.9 13.9 1.0
CA A:HIS45 3.9 9.6 1.0
N A:GLY43 4.0 12.5 1.0
N A:ARG44 4.0 9.9 1.0
C A:GLY95 4.0 15.8 1.0
ND1 A:HIS45 4.0 20.5 1.0
CB A:THR46 4.0 10.8 1.0
C A:HIS45 4.1 13.4 1.0
O A:GLY95 4.1 15.9 1.0
O A:HOH428 4.2 47.8 1.0
CA A:THR46 4.3 8.3 1.0
CG A:HIS45 4.3 13.2 1.0
O A:HOH465 4.4 44.9 1.0
C A:ARG44 4.4 11.0 1.0
C A:GLY96 4.7 11.9 1.0
CA A:ARG44 4.8 10.0 1.0

Chlorine binding site 2 out of 2 in 1jol

Go back to Chlorine Binding Sites List in 1jol
Chlorine binding site 2 out of 2 in the The Crystal Structure of the Binary Complex Between Folinic Acid (Leucovorin) and E. Coli Dihydrofolate Reductase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of the Binary Complex Between Folinic Acid (Leucovorin) and E. Coli Dihydrofolate Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl605

b:17.3
occ:1.00
 O B:HOH742 3.0 27.0 1.0
N B:GLY96 3.2 11.2 1.0
N B:THR46 3.3 20.7 1.0
OG1 B:THR46 3.3 17.8 1.0
O B:HOH808 3.3 52.1 1.0
N B:HIS45 3.6 15.9 1.0
CA B:GLY43 3.6 14.9 1.0
C B:GLY43 3.6 15.9 1.0
O B:HOH796 3.7 31.2 1.0
CB B:THR46 3.8 13.5 1.0
CB B:HIS45 3.8 21.2 1.0
CA B:GLY96 4.0 11.8 1.0
O B:GLY43 4.0 13.3 1.0
CA B:HIS45 4.0 11.2 1.0
O B:HOH725 4.0 59.2 1.0
N B:ARG44 4.0 15.7 1.0
N B:GLY43 4.1 17.8 1.0
CA B:THR46 4.1 12.5 1.0
C B:HIS45 4.1 14.6 1.0
C B:GLY95 4.1 13.9 1.0
O B:GLY95 4.2 16.0 1.0
O B:HOH741 4.4 35.2 1.0
C B:ARG44 4.5 14.0 1.0
CG B:HIS45 4.7 52.8 1.0
CD2 B:HIS45 4.8 59.9 1.0
O B:HOH635 4.8 21.4 1.0
CA B:ARG44 4.8 19.1 1.0
C B:GLY96 4.8 14.5 1.0
O B:HOH639 4.9 26.3 1.0

Reference:

H.Lee, V.M.Reyes, J.Kraut. Crystal Structures of Escherichia Coli Dihydrofolate Reductase Complexed with 5-Formyltetrahydrofolate (Folinic Acid) in Two Space Groups: Evidence For Enolization of Pteridine O4. Biochemistry V. 35 7012 1996.
ISSN: ISSN 0006-2960
PubMed: 8679526
DOI: 10.1021/BI960028G
Page generated: Thu Jul 10 17:35:34 2025

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