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Arsenic in PDB 4osg: Klebsiella Pneumoniae Complexed with Nadph and 6-Ethyl-5-[(3R)-3-[3- Methoxyl-5-(Pyridine-4-Yl)Phenyl]But-1-Yn-1-Yl]Pyrimidine-2,4-Diamine (UCP1006)
Enzymatic activity of Klebsiella Pneumoniae Complexed with Nadph and 6-Ethyl-5-[(3R)-3-[3- Methoxyl-5-(Pyridine-4-Yl)Phenyl]But-1-Yn-1-Yl]Pyrimidine-2,4-Diamine (UCP1006)
All present enzymatic activity of Klebsiella Pneumoniae Complexed with Nadph and 6-Ethyl-5-[(3R)-3-[3- Methoxyl-5-(Pyridine-4-Yl)Phenyl]But-1-Yn-1-Yl]Pyrimidine-2,4-Diamine (UCP1006):
1.5.1.3;
1.5.1.3;
Protein crystallography data
The structure of Klebsiella Pneumoniae Complexed with Nadph and 6-Ethyl-5-[(3R)-3-[3- Methoxyl-5-(Pyridine-4-Yl)Phenyl]But-1-Yn-1-Yl]Pyrimidine-2,4-Diamine (UCP1006), PDB code: 4osg
was solved by
K.M.Lamb,
A.C.Anderson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 39.27 / 2.70 |
| Space group | P 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 36.120, 74.210, 82.530, 67.94, 77.70, 75.92 |
| R / Rfree (%) | 23.9 / 24.8 |
Other elements in 4osg:
The structure of Klebsiella Pneumoniae Complexed with Nadph and 6-Ethyl-5-[(3R)-3-[3- Methoxyl-5-(Pyridine-4-Yl)Phenyl]But-1-Yn-1-Yl]Pyrimidine-2,4-Diamine (UCP1006) also contains other interesting chemical elements:
| Chlorine | (Cl) | 4 atoms |
| Calcium | (Ca) | 2 atoms |
Arsenic Binding Sites:
The binding sites of Arsenic atom in the Klebsiella Pneumoniae Complexed with Nadph and 6-Ethyl-5-[(3R)-3-[3- Methoxyl-5-(Pyridine-4-Yl)Phenyl]But-1-Yn-1-Yl]Pyrimidine-2,4-Diamine (UCP1006)
(pdb code 4osg). This binding sites where shown within
5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Klebsiella Pneumoniae Complexed with Nadph and 6-Ethyl-5-[(3R)-3-[3- Methoxyl-5-(Pyridine-4-Yl)Phenyl]But-1-Yn-1-Yl]Pyrimidine-2,4-Diamine (UCP1006), PDB code: 4osg:
Jump to Arsenic binding site number: 1; 2;
In total 2 binding sites of Arsenic where determined in the Klebsiella Pneumoniae Complexed with Nadph and 6-Ethyl-5-[(3R)-3-[3- Methoxyl-5-(Pyridine-4-Yl)Phenyl]But-1-Yn-1-Yl]Pyrimidine-2,4-Diamine (UCP1006), PDB code: 4osg:
Jump to Arsenic binding site number: 1; 2;
Arsenic binding site 1 out of 2 in 4osg
Go back to
Arsenic Binding Sites List in 4osg
Arsenic binding site 1 out
of 2 in the Klebsiella Pneumoniae Complexed with Nadph and 6-Ethyl-5-[(3R)-3-[3- Methoxyl-5-(Pyridine-4-Yl)Phenyl]But-1-Yn-1-Yl]Pyrimidine-2,4-Diamine (UCP1006)
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Arsenic with other atoms in the As binding
site number 1 of Klebsiella Pneumoniae Complexed with Nadph and 6-Ethyl-5-[(3R)-3-[3- Methoxyl-5-(Pyridine-4-Yl)Phenyl]But-1-Yn-1-Yl]Pyrimidine-2,4-Diamine (UCP1006) within 5.0Å range:
|
Arsenic binding site 2 out of 2 in 4osg
Go back to
Arsenic Binding Sites List in 4osg
Arsenic binding site 2 out
of 2 in the Klebsiella Pneumoniae Complexed with Nadph and 6-Ethyl-5-[(3R)-3-[3- Methoxyl-5-(Pyridine-4-Yl)Phenyl]But-1-Yn-1-Yl]Pyrimidine-2,4-Diamine (UCP1006)
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Arsenic with other atoms in the As binding
site number 2 of Klebsiella Pneumoniae Complexed with Nadph and 6-Ethyl-5-[(3R)-3-[3- Methoxyl-5-(Pyridine-4-Yl)Phenyl]But-1-Yn-1-Yl]Pyrimidine-2,4-Diamine (UCP1006) within 5.0Å range:
|
Reference:
K.M.Lamb,
M.N.Lombardo,
J.Alverson,
N.D.Priestley,
D.L.Wright,
A.C.Anderson.
Crystal Structures of Klebsiella Pneumoniae Dihydrofolate Reductase Bound to Propargyl-Linked Antifolates Reveal Features For Potency and Selectivity. Antimicrob.Agents Chemother. V. 58 7484 2014.
ISSN: ISSN 0066-4804
PubMed: 25288083
DOI: 10.1128/AAC.03555-14
Page generated: Wed Jul 10 12:25:49 2024
ISSN: ISSN 0066-4804
PubMed: 25288083
DOI: 10.1128/AAC.03555-14
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