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Chlorine in PDB 4b4w: Crystal Structure of Acinetobacter Baumannii N5, N10- Methylenetetrahydrofolate Dehydrogenase-Cyclohydrolase (Fold) Complexed with Nadp Cofactor and An Inhibitor

Enzymatic activity of Crystal Structure of Acinetobacter Baumannii N5, N10- Methylenetetrahydrofolate Dehydrogenase-Cyclohydrolase (Fold) Complexed with Nadp Cofactor and An Inhibitor

All present enzymatic activity of Crystal Structure of Acinetobacter Baumannii N5, N10- Methylenetetrahydrofolate Dehydrogenase-Cyclohydrolase (Fold) Complexed with Nadp Cofactor and An Inhibitor:
1.5.1.5; 3.5.4.9;

Protein crystallography data

The structure of Crystal Structure of Acinetobacter Baumannii N5, N10- Methylenetetrahydrofolate Dehydrogenase-Cyclohydrolase (Fold) Complexed with Nadp Cofactor and An Inhibitor, PDB code: 4b4w was solved by T.C.Eadsforth, F.V.Maluf, W.N.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.86 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 55.541, 80.882, 68.482, 90.00, 106.60, 90.00
R / Rfree (%) 17.1 / 21.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Acinetobacter Baumannii N5, N10- Methylenetetrahydrofolate Dehydrogenase-Cyclohydrolase (Fold) Complexed with Nadp Cofactor and An Inhibitor (pdb code 4b4w). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Acinetobacter Baumannii N5, N10- Methylenetetrahydrofolate Dehydrogenase-Cyclohydrolase (Fold) Complexed with Nadp Cofactor and An Inhibitor, PDB code: 4b4w:

Chlorine binding site 1 out of 1 in 4b4w

Go back to Chlorine Binding Sites List in 4b4w
Chlorine binding site 1 out of 1 in the Crystal Structure of Acinetobacter Baumannii N5, N10- Methylenetetrahydrofolate Dehydrogenase-Cyclohydrolase (Fold) Complexed with Nadp Cofactor and An Inhibitor


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 Acinetobacter Baumannii N5, N10- Methylenetetrahydrofolate Dehydrogenase-Cyclohydrolase (Fold) Complexed with Nadp Cofactor and An Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1284

b:17.4
occ:1.00
 O A:HOH2097 3.1 30.9 1.0
NH1 A:ARG59 3.2 19.7 1.0
CG A:ARG59 3.5 21.2 1.0
CD A:ARG59 3.5 21.5 1.0
CB A:ASN55 4.1 18.5 1.0
CZ A:ARG59 4.2 19.6 1.0
NE A:ARG59 4.3 20.4 1.0
O A:ASN55 4.5 18.7 1.0
CG A:ASN55 4.7 19.1 1.0
C A:ASN55 4.8 18.0 1.0
O A:HOH2099 4.8 18.5 1.0
CA A:ASN55 4.9 18.2 1.0
ND2 A:ASN55 4.9 19.3 1.0
CB A:ARG59 5.0 20.7 1.0

Reference:

T.C.Eadsforth, F.V.Maluf, W.N.Hunter. Acinetobacter Baumannii Fold Ligand Complexes; Potent Inhibitors of Folate Metabolism and A Re-Evaluation of the LY374571 Structure. Febs J. V. 279 4350 2012.
ISSN: ISSN 1742-464X
PubMed: 23050773
DOI: 10.1111/FEBS.12025
Page generated: Sun Jul 21 09:45:07 2024

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