Atomistry » Fluorine » PDB 1jdj-1mkd » 1khj
Atomistry »
  Fluorine »
    PDB 1jdj-1mkd »
      1khj »

Fluorine in PDB 1khj: E. Coli Alkaline Phosphatase Mutant (D153HD330N) Mimic of the Transition States with Aluminium Fluoride

Enzymatic activity of E. Coli Alkaline Phosphatase Mutant (D153HD330N) Mimic of the Transition States with Aluminium Fluoride

All present enzymatic activity of E. Coli Alkaline Phosphatase Mutant (D153HD330N) Mimic of the Transition States with Aluminium Fluoride:
3.1.3.1;

Protein crystallography data

The structure of E. Coli Alkaline Phosphatase Mutant (D153HD330N) Mimic of the Transition States with Aluminium Fluoride, PDB code: 1khj was solved by M.H.Le Du, C.Lamoure, B.H.Muller, O.V.Bulgakov, E.Lajeunesse, A.Menez, J.C.Boulain, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 2.30
Space group P 63 2 2
Cell size a, b, c (Å), α, β, γ (°) 163.511, 163.511, 138.025, 90.00, 90.00, 120.00
R / Rfree (%) 18 / 22.3

Other elements in 1khj:

The structure of E. Coli Alkaline Phosphatase Mutant (D153HD330N) Mimic of the Transition States with Aluminium Fluoride also contains other interesting chemical elements:

Aluminium (Al) 2 atoms
Zinc (Zn) 4 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the E. Coli Alkaline Phosphatase Mutant (D153HD330N) Mimic of the Transition States with Aluminium Fluoride (pdb code 1khj). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the E. Coli Alkaline Phosphatase Mutant (D153HD330N) Mimic of the Transition States with Aluminium Fluoride, PDB code: 1khj:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 1khj

Go back to Fluorine Binding Sites List in 1khj
Fluorine binding site 1 out of 6 in the E. Coli Alkaline Phosphatase Mutant (D153HD330N) Mimic of the Transition States with Aluminium Fluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of E. Coli Alkaline Phosphatase Mutant (D153HD330N) Mimic of the Transition States with Aluminium Fluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F453

b:31.9
occ:1.00
 F1 A:AF3453 0.0 31.9 1.0
AL A:AF3453 1.7 37.3 1.0
OG A:SER102 2.2 24.4 1.0
ZN A:ZN450 2.2 23.1 1.0
O A:HOH1003 2.5 32.1 1.0
O A:HOH1001 2.5 27.2 1.0
ZN A:ZN451 2.6 27.1 1.0
F2 A:AF3453 2.7 38.8 1.0
F3 A:AF3453 2.7 34.6 1.0
NE2 A:HIS412 3.0 12.0 1.0
OD1 A:ASP327 3.0 20.2 1.0
OD2 A:ASP327 3.1 15.7 1.0
CE1 A:HIS412 3.2 12.1 1.0
CG A:ASP327 3.3 17.9 1.0
O A:HOH1002 3.4 43.0 1.0
CB A:SER102 3.5 14.5 1.0
NE2 A:HIS370 3.5 13.0 1.0
OD2 A:ASP51 3.6 24.9 1.0
CE1 A:HIS370 4.1 10.0 1.0
N A:SER102 4.1 12.9 1.0
NE2 A:HIS331 4.2 11.4 1.0
OD1 A:ASP51 4.3 24.3 1.0
CA A:SER102 4.3 15.2 1.0
CD2 A:HIS412 4.3 13.4 1.0
CG A:ASP51 4.3 23.2 1.0
ND1 A:HIS412 4.5 16.0 1.0
CB A:ASP327 4.5 15.2 1.0
OD1 A:ASP369 4.6 10.8 1.0
CD2 A:HIS370 4.7 12.5 1.0
CD2 A:HIS331 4.9 13.8 1.0
CE1 A:HIS153 5.0 20.3 1.0

Fluorine binding site 2 out of 6 in 1khj

Go back to Fluorine Binding Sites List in 1khj
Fluorine binding site 2 out of 6 in the E. Coli Alkaline Phosphatase Mutant (D153HD330N) Mimic of the Transition States with Aluminium Fluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of E. Coli Alkaline Phosphatase Mutant (D153HD330N) Mimic of the Transition States with Aluminium Fluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F453

b:38.8
occ:1.00
 F2 A:AF3453 0.0 38.8 1.0
AL A:AF3453 1.5 37.3 1.0
OG A:SER102 2.1 24.4 1.0
O A:HOH1003 2.3 32.1 1.0
O A:HOH1001 2.5 27.2 1.0
F1 A:AF3453 2.7 31.9 1.0
NH1 A:ARG166 2.8 39.7 1.0
F3 A:AF3453 2.8 34.6 1.0
O A:HOH1002 3.0 43.0 1.0
CE1 A:HIS153 3.1 20.3 1.0
CB A:SER102 3.2 14.5 1.0
NH2 A:ARG166 3.5 36.2 1.0
CZ A:ARG166 3.6 40.0 1.0
NE2 A:HIS153 3.8 19.2 1.0
ND1 A:HIS153 4.1 18.3 1.0
ZN A:ZN450 4.2 23.1 1.0
N A:SER102 4.4 12.9 1.0
CA A:SER102 4.4 15.2 1.0
ZN A:ZN451 4.5 27.1 1.0
OD2 A:ASP327 4.5 15.7 1.0
O A:HOH1432 4.6 35.1 1.0
OD1 A:ASP51 4.6 24.3 1.0
NZ A:LYS328 4.6 43.2 1.0
NE A:ARG166 4.9 39.4 1.0
CB A:ALA154 5.0 16.4 1.0
CD2 A:HIS153 5.0 13.3 1.0

Fluorine binding site 3 out of 6 in 1khj

Go back to Fluorine Binding Sites List in 1khj
Fluorine binding site 3 out of 6 in the E. Coli Alkaline Phosphatase Mutant (D153HD330N) Mimic of the Transition States with Aluminium Fluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of E. Coli Alkaline Phosphatase Mutant (D153HD330N) Mimic of the Transition States with Aluminium Fluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F453

b:34.6
occ:1.00
 F3 A:AF3453 0.0 34.6 1.0
AL A:AF3453 1.5 37.3 1.0
OG A:SER102 2.2 24.4 1.0
N A:SER102 2.5 12.9 1.0
O A:HOH1003 2.7 32.1 1.0
F1 A:AF3453 2.7 31.9 1.0
F2 A:AF3453 2.8 38.8 1.0
NH2 A:ARG166 3.0 36.2 1.0
CE1 A:HIS412 3.1 12.1 1.0
CB A:SER102 3.2 14.5 1.0
C A:ASP101 3.4 10.0 1.0
CA A:SER102 3.4 15.2 1.0
CB A:ASP101 3.4 14.0 1.0
CA A:ASP101 3.5 11.2 1.0
O A:HOH1388 3.7 47.2 1.0
NE2 A:HIS412 3.8 12.0 1.0
ZN A:ZN450 3.9 23.1 1.0
CZ A:ARG166 4.0 40.0 1.0
CG A:ASP101 4.1 11.5 1.0
NH1 A:ARG166 4.1 39.7 1.0
ZN A:ZN451 4.1 27.1 1.0
OD1 A:ASP101 4.2 10.6 1.0
ND1 A:HIS412 4.2 16.0 1.0
O A:HOH1001 4.5 27.2 1.0
O A:ASP101 4.5 10.7 1.0
C A:SER102 4.6 17.6 1.0
N A:ALA103 4.6 16.3 1.0
NE2 A:HIS370 4.7 13.0 1.0
O A:HOH1002 4.8 43.0 1.0
O A:HOH1387 4.9 47.8 1.0
N A:ASP101 4.9 13.9 1.0
OD2 A:ASP101 5.0 11.0 1.0

Fluorine binding site 4 out of 6 in 1khj

Go back to Fluorine Binding Sites List in 1khj
Fluorine binding site 4 out of 6 in the E. Coli Alkaline Phosphatase Mutant (D153HD330N) Mimic of the Transition States with Aluminium Fluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of E. Coli Alkaline Phosphatase Mutant (D153HD330N) Mimic of the Transition States with Aluminium Fluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F453

b:35.4
occ:1.00
 F1 B:AF3453 0.0 35.4 1.0
AL B:AF3453 1.6 41.9 1.0
ZN B:ZN450 2.3 20.4 1.0
OG B:SER102 2.4 21.7 1.0
F3 B:AF3453 2.4 40.7 1.0
O B:HOH1004 2.5 30.7 1.0
F2 B:AF3453 2.7 39.1 1.0
ZN B:ZN451 2.7 26.8 1.0
O B:HOH1006 2.8 35.7 1.0
CE1 B:HIS412 2.9 16.5 1.0
NE2 B:HIS412 3.0 17.3 1.0
OD2 B:ASP327 3.4 19.4 1.0
NE2 B:HIS370 3.4 17.1 1.0
OD1 B:ASP327 3.4 20.1 1.0
CB B:SER102 3.6 14.8 1.0
CG B:ASP327 3.6 16.4 1.0
OD2 B:ASP51 3.8 26.6 1.0
N B:SER102 3.9 13.4 1.0
CE1 B:HIS370 3.9 14.4 1.0
NE2 B:HIS331 4.1 10.7 1.0
ND1 B:HIS412 4.2 17.6 1.0
CA B:SER102 4.2 12.5 1.0
O B:HOH1005 4.2 37.5 1.0
CD2 B:HIS412 4.4 19.9 1.0
OD1 B:ASP51 4.4 26.1 1.0
CG B:ASP51 4.5 21.3 1.0
CD2 B:HIS370 4.6 13.6 1.0
OD1 B:ASP369 4.7 15.9 1.0
C B:ASP101 4.8 11.7 1.0
CB B:ASP327 4.8 18.3 1.0
NH2 B:ARG166 4.9 40.2 1.0
CG B:HIS412 5.0 13.6 1.0

Fluorine binding site 5 out of 6 in 1khj

Go back to Fluorine Binding Sites List in 1khj
Fluorine binding site 5 out of 6 in the E. Coli Alkaline Phosphatase Mutant (D153HD330N) Mimic of the Transition States with Aluminium Fluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of E. Coli Alkaline Phosphatase Mutant (D153HD330N) Mimic of the Transition States with Aluminium Fluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F453

b:39.1
occ:1.00
 F2 B:AF3453 0.0 39.1 1.0
AL B:AF3453 1.5 41.9 1.0
OG B:SER102 2.2 21.7 1.0
O B:HOH1004 2.4 30.7 1.0
O B:HOH1006 2.6 35.7 1.0
F1 B:AF3453 2.7 35.4 1.0
NH1 B:ARG166 2.7 42.8 1.0
F3 B:AF3453 2.7 40.7 1.0
CE1 B:HIS153 3.0 16.1 1.0
NH2 B:ARG166 3.3 40.2 1.0
O B:HOH1005 3.4 37.5 1.0
CB B:SER102 3.4 14.8 1.0
CZ B:ARG166 3.4 44.0 1.0
NE2 B:HIS153 3.8 17.0 1.0
ND1 B:HIS153 4.1 19.2 1.0
ZN B:ZN450 4.2 20.4 1.0
OD2 B:ASP327 4.4 19.4 1.0
N B:SER102 4.5 13.4 1.0
ZN B:ZN451 4.6 26.8 1.0
NZ B:LYS328 4.6 38.7 1.0
CA B:SER102 4.6 12.5 1.0
NE B:ARG166 4.7 40.7 1.0
O B:HOH1295 4.8 42.3 1.0
OD1 B:ASP51 4.8 26.1 1.0

Fluorine binding site 6 out of 6 in 1khj

Go back to Fluorine Binding Sites List in 1khj
Fluorine binding site 6 out of 6 in the E. Coli Alkaline Phosphatase Mutant (D153HD330N) Mimic of the Transition States with Aluminium Fluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of E. Coli Alkaline Phosphatase Mutant (D153HD330N) Mimic of the Transition States with Aluminium Fluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F453

b:40.7
occ:1.00
 F3 B:AF3453 0.0 40.7 1.0
AL B:AF3453 1.4 41.9 1.0
OG B:SER102 2.2 21.7 1.0
O B:HOH1006 2.2 35.7 1.0
F1 B:AF3453 2.4 35.4 1.0
N B:SER102 2.6 13.4 1.0
F2 B:AF3453 2.7 39.1 1.0
NH2 B:ARG166 2.9 40.2 1.0
CE1 B:HIS412 3.3 16.5 1.0
CB B:SER102 3.3 14.8 1.0
CB B:ASP101 3.4 14.3 1.0
C B:ASP101 3.5 11.7 1.0
CA B:SER102 3.5 12.5 1.0
CA B:ASP101 3.5 11.1 1.0
CZ B:ARG166 4.0 44.0 1.0
ZN B:ZN450 4.0 20.4 1.0
NE2 B:HIS412 4.0 17.3 1.0
OD1 B:ASP101 4.0 14.3 1.0
CG B:ASP101 4.1 12.7 1.0
NH1 B:ARG166 4.2 42.8 1.0
O B:HOH1004 4.2 30.7 1.0
ZN B:ZN451 4.2 26.8 1.0
ND1 B:HIS412 4.3 17.6 1.0
N B:ALA103 4.6 17.6 1.0
C B:SER102 4.6 16.0 1.0
NE2 B:HIS370 4.6 17.1 1.0
O B:ASP101 4.6 10.1 1.0
N B:ASP101 5.0 16.3 1.0

Reference:

M.H.Le Du, C.Lamoure, B.H.Muller, O.V.Bulgakov, E.Lajeunesse, A.Menez, J.C.Boulain. Artificial Evolution of An Enzyme Active Site: Structural Studies of Three Highly Active Mutants of Escherichia Coli Alkaline Phosphatase. J.Mol.Biol. V. 316 941 2002.
ISSN: ISSN 0022-2836
PubMed: 11884134
DOI: 10.1006/JMBI.2001.5384
Page generated: Wed Jul 31 11:43:02 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy