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Fluorine in PDB 1oh9: Acetylglutamate Kinase From Escherichia Coli Complexed with Mgadp, N- Acetyl-L-Glutamate and the Transition-State Mimic ALF4-

Enzymatic activity of Acetylglutamate Kinase From Escherichia Coli Complexed with Mgadp, N- Acetyl-L-Glutamate and the Transition-State Mimic ALF4-

All present enzymatic activity of Acetylglutamate Kinase From Escherichia Coli Complexed with Mgadp, N- Acetyl-L-Glutamate and the Transition-State Mimic ALF4-:
2.7.2.8;

Protein crystallography data

The structure of Acetylglutamate Kinase From Escherichia Coli Complexed with Mgadp, N- Acetyl-L-Glutamate and the Transition-State Mimic ALF4-, PDB code: 1oh9 was solved by F.Gil-Ortiz, S.Ramon-Maiques, I.Fita, V.Rubio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.91
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 59.457, 72.220, 107.214, 90.00, 90.00, 90.00
R / Rfree (%) 18.6 / 22.9

Other elements in 1oh9:

The structure of Acetylglutamate Kinase From Escherichia Coli Complexed with Mgadp, N- Acetyl-L-Glutamate and the Transition-State Mimic ALF4- also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Aluminium (Al) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Acetylglutamate Kinase From Escherichia Coli Complexed with Mgadp, N- Acetyl-L-Glutamate and the Transition-State Mimic ALF4- (pdb code 1oh9). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Acetylglutamate Kinase From Escherichia Coli Complexed with Mgadp, N- Acetyl-L-Glutamate and the Transition-State Mimic ALF4-, PDB code: 1oh9:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 1oh9

Go back to Fluorine Binding Sites List in 1oh9
Fluorine binding site 1 out of 4 in the Acetylglutamate Kinase From Escherichia Coli Complexed with Mgadp, N- Acetyl-L-Glutamate and the Transition-State Mimic ALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Acetylglutamate Kinase From Escherichia Coli Complexed with Mgadp, N- Acetyl-L-Glutamate and the Transition-State Mimic ALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1261

b:70.2
occ:1.00
 F1 A:ALF1261 0.0 70.2 1.0
AL A:ALF1261 1.8 43.0 1.0
F4 A:ALF1261 2.4 58.8 1.0
F3 A:ALF1261 2.6 60.6 1.0
O3B A:ADP1259 2.6 53.2 1.0
N A:GLY11 2.9 23.8 1.0
OE2 A:NLG1260 2.9 16.5 1.0
N A:GLY44 3.1 18.8 1.0
CA A:GLY10 3.1 21.0 1.0
C A:GLY10 3.4 23.4 1.0
F2 A:ALF1261 3.5 51.0 1.0
N A:GLY45 3.6 23.2 1.0
CA A:GLY44 3.8 20.3 1.0
C A:GLY43 3.9 16.3 1.0
CA A:GLY43 4.0 14.4 1.0
CA A:GLY11 4.0 24.4 1.0
CD A:NLG1260 4.0 14.7 1.0
PB A:ADP1259 4.2 53.0 1.0
C A:GLY44 4.2 20.9 1.0
O A:GLY11 4.3 24.3 1.0
N A:GLY10 4.5 17.8 1.0
OE1 A:NLG1260 4.5 14.9 1.0
N A:GLY43 4.6 13.3 1.0
C A:GLY11 4.6 23.7 1.0
CA A:GLY45 4.6 26.7 1.0
O A:LEU9 4.6 14.1 1.0
NZ A:LYS8 4.6 13.4 1.0
O A:GLY10 4.7 23.0 1.0
CD1 A:LEU14 4.8 40.5 1.0
O2B A:ADP1259 4.8 53.4 1.0
O1B A:ADP1259 4.9 52.8 1.0
O3A A:ADP1259 4.9 54.0 1.0
O A:GLY43 4.9 14.1 1.0

Fluorine binding site 2 out of 4 in 1oh9

Go back to Fluorine Binding Sites List in 1oh9
Fluorine binding site 2 out of 4 in the Acetylglutamate Kinase From Escherichia Coli Complexed with Mgadp, N- Acetyl-L-Glutamate and the Transition-State Mimic ALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Acetylglutamate Kinase From Escherichia Coli Complexed with Mgadp, N- Acetyl-L-Glutamate and the Transition-State Mimic ALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1261

b:51.0
occ:1.00
 F2 A:ALF1261 0.0 51.0 1.0
AL A:ALF1261 1.8 43.0 1.0
F3 A:ALF1261 2.5 60.6 1.0
O A:HOH2210 2.5 19.2 1.0
MG A:MG1262 2.5 55.3 1.0
F4 A:ALF1261 2.6 58.8 1.0
O3B A:ADP1259 2.7 53.2 1.0
OE2 A:NLG1260 2.7 16.5 1.0
OE1 A:NLG1260 2.7 14.9 1.0
CD A:NLG1260 3.1 14.7 1.0
O1B A:ADP1259 3.2 52.8 1.0
O A:HOH2208 3.3 35.6 1.0
PB A:ADP1259 3.4 53.0 1.0
F1 A:ALF1261 3.5 70.2 1.0
O3A A:ADP1259 3.6 54.0 1.0
O2A A:ADP1259 3.7 55.5 1.0
PA A:ADP1259 4.3 54.8 1.0
NZ A:LYS8 4.4 13.4 1.0
O A:HOH2143 4.4 27.4 1.0
CG A:NLG1260 4.4 14.0 1.0
ND2 A:ASN160 4.5 13.7 1.0
O A:HOH2209 4.6 31.4 1.0
O2B A:ADP1259 4.8 53.4 1.0

Fluorine binding site 3 out of 4 in 1oh9

Go back to Fluorine Binding Sites List in 1oh9
Fluorine binding site 3 out of 4 in the Acetylglutamate Kinase From Escherichia Coli Complexed with Mgadp, N- Acetyl-L-Glutamate and the Transition-State Mimic ALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Acetylglutamate Kinase From Escherichia Coli Complexed with Mgadp, N- Acetyl-L-Glutamate and the Transition-State Mimic ALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1261

b:60.6
occ:1.00
 F3 A:ALF1261 0.0 60.6 1.0
AL A:ALF1261 1.8 43.0 1.0
F2 A:ALF1261 2.5 51.0 1.0
F1 A:ALF1261 2.6 70.2 1.0
O A:HOH2210 2.7 19.2 1.0
NZ A:LYS8 2.7 13.4 1.0
O3B A:ADP1259 2.8 53.2 1.0
OE2 A:NLG1260 2.8 16.5 1.0
OE1 A:NLG1260 2.9 14.9 1.0
CD A:NLG1260 3.1 14.7 1.0
CE A:LYS8 3.4 13.5 1.0
O1B A:ADP1259 3.5 52.8 1.0
CB A:ALA161 3.6 11.6 1.0
F4 A:ALF1261 3.6 58.8 1.0
CA A:GLY43 3.7 14.4 1.0
PB A:ADP1259 3.7 53.0 1.0
CA A:GLY10 3.8 21.0 1.0
MG A:MG1262 4.1 55.3 1.0
N A:GLY43 4.2 13.3 1.0
N A:GLY44 4.3 18.8 1.0
O A:HOH2153 4.4 29.9 1.0
O A:LEU9 4.5 14.1 1.0
C A:GLY43 4.5 16.3 1.0
CG A:NLG1260 4.5 14.0 1.0
N A:GLY11 4.6 23.8 1.0
O2B A:ADP1259 4.7 53.4 1.0
CA A:ALA161 4.7 12.1 1.0
C A:GLY10 4.7 23.4 1.0
CD A:LYS8 4.7 12.5 1.0
N A:GLY10 4.8 17.8 1.0
O3A A:ADP1259 4.8 54.0 1.0
N A:ALA161 4.8 10.4 1.0
C A:LEU9 5.0 14.8 1.0

Fluorine binding site 4 out of 4 in 1oh9

Go back to Fluorine Binding Sites List in 1oh9
Fluorine binding site 4 out of 4 in the Acetylglutamate Kinase From Escherichia Coli Complexed with Mgadp, N- Acetyl-L-Glutamate and the Transition-State Mimic ALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Acetylglutamate Kinase From Escherichia Coli Complexed with Mgadp, N- Acetyl-L-Glutamate and the Transition-State Mimic ALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1261

b:58.8
occ:1.00
 F4 A:ALF1261 0.0 58.8 1.0
AL A:ALF1261 1.8 43.0 1.0
F1 A:ALF1261 2.4 70.2 1.0
O3B A:ADP1259 2.5 53.2 1.0
F2 A:ALF1261 2.6 51.0 1.0
OE2 A:NLG1260 3.0 16.5 1.0
N A:GLY45 3.5 23.2 1.0
F3 A:ALF1261 3.6 60.6 1.0
O3A A:ADP1259 3.7 54.0 1.0
O A:HOH2208 3.8 35.6 1.0
CA A:GLY45 3.8 26.7 1.0
PB A:ADP1259 3.8 53.0 1.0
N A:GLY11 4.0 23.8 1.0
CD A:NLG1260 4.1 14.7 1.0
O A:HOH2050 4.2 40.0 1.0
OE1 A:NLG1260 4.5 14.9 1.0
CA A:GLY11 4.5 24.4 1.0
N A:CYS46 4.5 29.9 1.0
O1B A:ADP1259 4.6 52.8 1.0
N A:GLY44 4.6 18.8 1.0
C A:GLY45 4.6 28.6 1.0
C A:GLY44 4.7 20.9 1.0
MG A:MG1262 4.7 55.3 1.0
PA A:ADP1259 4.8 54.8 1.0
O2B A:ADP1259 4.9 53.4 1.0
O2A A:ADP1259 4.9 55.5 1.0
O A:HOH2210 4.9 19.2 1.0
O1A A:ADP1259 5.0 55.1 1.0

Reference:

F.Gil-Ortiz, S.Ramon-Maiques, I.Fita, V.Rubio. The Course of Phosphorus in the Reaction of N-Acetyl-L-Glutamate Kinase, Determined From the Structures of Crystalline Complexes, Including A Complex with An Alf(4)(-) Transition State Mimic J.Mol.Biol. V. 331 231 2003.
ISSN: ISSN 0022-2836
PubMed: 12875848
DOI: 10.1016/S0022-2836(03)00716-2
Page generated: Sun Dec 13 11:31:39 2020

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