Calcium »
PDB 4opq-4p4f »
4osg »
Calcium 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:
| Arsenic | (As) | 2 atoms |
| Chlorine | (Cl) | 4 atoms |
Calcium Binding Sites:
The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium 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 Calcium binding site number: 1; 2;
In total 2 binding sites of Calcium 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 Calcium binding site number: 1; 2;
Calcium binding site 1 out of 2 in 4osg
Go back to
Calcium Binding Sites List in 4osg
Calcium 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 Calcium with other atoms in the Ca 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:
|
Calcium binding site 2 out of 2 in 4osg
Go back to
Calcium Binding Sites List in 4osg
Calcium 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 Calcium with other atoms in the Ca 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: Sun Jul 14 11:32:06 2024
ISSN: ISSN 0066-4804
PubMed: 25288083
DOI: 10.1128/AAC.03555-14
Last articles
Zn in 9JYWZn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
