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Fluorine in PDB 1jz2: E. Coli (Lacz) Beta-Galactosidase-Trapped 2-F-Galactosyl- Enzyme Intermediate (Orthorhombic)

Enzymatic activity of E. Coli (Lacz) Beta-Galactosidase-Trapped 2-F-Galactosyl- Enzyme Intermediate (Orthorhombic)

All present enzymatic activity of E. Coli (Lacz) Beta-Galactosidase-Trapped 2-F-Galactosyl- Enzyme Intermediate (Orthorhombic):
3.2.1.23;

Protein crystallography data

The structure of E. Coli (Lacz) Beta-Galactosidase-Trapped 2-F-Galactosyl- Enzyme Intermediate (Orthorhombic), PDB code: 1jz2 was solved by D.H.Juers, J.D.Mccarter, L.Mackenzie, S.G.Withers, B.W.Matthews, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.60 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 151.500, 167.700, 201.600, 90.00, 90.00, 90.00
R / Rfree (%) 16.7 / 27

Other elements in 1jz2:

The structure of E. Coli (Lacz) Beta-Galactosidase-Trapped 2-F-Galactosyl- Enzyme Intermediate (Orthorhombic) also contains other interesting chemical elements:

Magnesium (Mg) 8 atoms
Sodium (Na) 12 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the E. Coli (Lacz) Beta-Galactosidase-Trapped 2-F-Galactosyl- Enzyme Intermediate (Orthorhombic) (pdb code 1jz2). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the E. Coli (Lacz) Beta-Galactosidase-Trapped 2-F-Galactosyl- Enzyme Intermediate (Orthorhombic), PDB code: 1jz2:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 1jz2

Go back to Fluorine Binding Sites List in 1jz2
Fluorine binding site 1 out of 4 in the E. Coli (Lacz) Beta-Galactosidase-Trapped 2-F-Galactosyl- Enzyme Intermediate (Orthorhombic)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of E. Coli (Lacz) Beta-Galactosidase-Trapped 2-F-Galactosyl- Enzyme Intermediate (Orthorhombic) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F2001

b:28.6
occ:1.00
 F2 A:2FG2001 0.0 28.6 1.0
C2 A:2FG2001 1.4 26.8 1.0
C1 A:2FG2001 2.4 25.7 1.0
C3 A:2FG2001 2.4 23.0 1.0
OE1 A:GLU537 2.7 33.4 1.0
O3 A:2FG2001 2.8 29.4 1.0
OE2 A:GLU537 2.9 19.1 1.0
ND2 A:ASN460 3.0 21.2 1.0
CD A:GLU537 3.0 34.2 1.0
OD1 A:ASN460 3.2 21.9 1.0
OE1 A:GLU461 3.3 22.0 1.0
NE2 A:HIS391 3.3 21.1 1.0
CE1 A:HIS391 3.3 20.2 1.0
CG A:ASN460 3.4 28.9 1.0
CD A:GLU461 3.5 33.0 1.0
O5 A:2FG2001 3.5 20.8 1.0
C4 A:2FG2001 3.8 19.1 1.0
CE A:MET502 3.9 15.7 1.0
OE2 A:GLU461 3.9 15.7 1.0
CG A:GLU461 4.1 17.9 1.0
C5 A:2FG2001 4.1 22.1 1.0
O A:HOH8517 4.1 14.0 1.0
O4 A:2FG2001 4.2 14.7 1.0
CD2 A:HIS391 4.3 17.5 1.0
CG A:GLU537 4.3 17.2 1.0
ND1 A:HIS391 4.3 16.6 1.0
CZ3 A:TRP568 4.4 27.1 1.0
CH2 A:TRP568 4.7 29.4 1.0
O A:HOH8975 4.7 23.0 1.0
SD A:MET502 4.7 24.0 1.0
NH1 A:ARG388 4.8 14.5 1.0
CE3 A:TRP568 4.9 18.7 1.0
CG A:HIS391 4.9 20.6 1.0
MG A:MG3001 4.9 26.8 1.0
CB A:ASN460 4.9 13.6 1.0

Fluorine binding site 2 out of 4 in 1jz2

Go back to Fluorine Binding Sites List in 1jz2
Fluorine binding site 2 out of 4 in the E. Coli (Lacz) Beta-Galactosidase-Trapped 2-F-Galactosyl- Enzyme Intermediate (Orthorhombic)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of E. Coli (Lacz) Beta-Galactosidase-Trapped 2-F-Galactosyl- Enzyme Intermediate (Orthorhombic) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F2001

b:29.8
occ:1.00
 F2 B:2FG2001 0.0 29.8 1.0
C2 B:2FG2001 1.4 21.2 1.0
C3 B:2FG2001 2.4 24.6 1.0
C1 B:2FG2001 2.4 23.5 1.0
O3 B:2FG2001 2.8 17.6 1.0
ND2 B:ASN460 2.9 17.8 1.0
OE1 B:GLU537 2.9 50.0 1.0
OE2 B:GLU537 3.1 23.8 1.0
CD B:GLU537 3.2 26.5 1.0
NE2 B:HIS391 3.2 22.6 1.0
OE1 B:GLU461 3.2 31.0 1.0
OD1 B:ASN460 3.3 22.2 1.0
CE1 B:HIS391 3.4 21.9 1.0
CG B:ASN460 3.5 26.8 1.0
CD B:GLU461 3.5 14.7 1.0
O5 B:2FG2001 3.6 25.9 1.0
C4 B:2FG2001 3.7 29.1 1.0
OE2 B:GLU461 3.8 16.4 1.0
CE B:MET502 3.9 15.4 1.0
O B:HOH8535 4.0 16.0 1.0
O4 B:2FG2001 4.1 28.0 1.0
CG B:GLU461 4.1 17.4 1.0
C5 B:2FG2001 4.2 27.7 1.0
CD2 B:HIS391 4.3 20.2 1.0
CG B:GLU537 4.4 16.5 1.0
ND1 B:HIS391 4.5 18.7 1.0
CZ3 B:TRP568 4.6 14.6 1.0
O6 B:BTB2002 4.7 21.5 1.0
SD B:MET502 4.7 23.1 1.0
MG B:MG3001 4.7 21.4 1.0
O B:HOH8599 4.8 13.8 1.0
CH2 B:TRP568 4.9 11.5 1.0
NH1 B:ARG388 4.9 16.0 1.0
CB B:ASN460 5.0 10.7 1.0
CG B:HIS391 5.0 18.2 1.0
CE3 B:TRP568 5.0 16.4 1.0

Fluorine binding site 3 out of 4 in 1jz2

Go back to Fluorine Binding Sites List in 1jz2
Fluorine binding site 3 out of 4 in the E. Coli (Lacz) Beta-Galactosidase-Trapped 2-F-Galactosyl- Enzyme Intermediate (Orthorhombic)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of E. Coli (Lacz) Beta-Galactosidase-Trapped 2-F-Galactosyl- Enzyme Intermediate (Orthorhombic) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F2001

b:24.7
occ:1.00
 F2 C:2FG2001 0.0 24.7 1.0
C2 C:2FG2001 1.4 24.1 1.0
C1 C:2FG2001 2.4 20.9 1.0
C3 C:2FG2001 2.4 22.2 1.0
ND2 C:ASN460 2.8 16.3 1.0
O3 C:2FG2001 2.8 20.9 1.0
OE2 C:GLU537 2.9 28.1 1.0
OE1 C:GLU537 3.0 49.1 1.0
CD C:GLU537 3.2 41.0 1.0
OE1 C:GLU461 3.2 15.9 1.0
CE1 C:HIS391 3.2 24.3 1.0
OD1 C:ASN460 3.2 24.0 1.0
NE2 C:HIS391 3.3 21.0 1.0
CG C:ASN460 3.4 32.6 1.0
CD C:GLU461 3.6 26.1 1.0
O5 C:2FG2001 3.6 26.7 1.0
C4 C:2FG2001 3.8 23.1 1.0
O C:HOH8528 3.9 14.3 1.0
OE2 C:GLU461 4.0 20.2 1.0
O4 C:2FG2001 4.1 19.7 1.0
CG C:GLU461 4.1 18.7 1.0
C5 C:2FG2001 4.2 25.7 1.0
CE C:MET502 4.2 16.3 1.0
ND1 C:HIS391 4.3 21.9 1.0
CZ3 C:TRP568 4.4 15.8 1.0
CD2 C:HIS391 4.4 18.1 1.0
CG C:GLU537 4.4 19.9 1.0
CH2 C:TRP568 4.7 17.4 1.0
SD C:MET502 4.7 24.6 1.0
MG C:MG3001 4.8 23.0 1.0
O C:HOH8592 4.8 19.2 1.0
CE3 C:TRP568 4.8 20.3 1.0
O C:HOH8983 4.8 19.6 1.0
NH1 C:ARG388 4.9 20.2 1.0
CB C:ASN460 4.9 15.4 1.0
CG C:HIS391 5.0 20.8 1.0

Fluorine binding site 4 out of 4 in 1jz2

Go back to Fluorine Binding Sites List in 1jz2
Fluorine binding site 4 out of 4 in the E. Coli (Lacz) Beta-Galactosidase-Trapped 2-F-Galactosyl- Enzyme Intermediate (Orthorhombic)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of E. Coli (Lacz) Beta-Galactosidase-Trapped 2-F-Galactosyl- Enzyme Intermediate (Orthorhombic) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F2001

b:22.4
occ:1.00
 F2 D:2FG2001 0.0 22.4 1.0
C2 D:2FG2001 1.4 23.8 1.0
C1 D:2FG2001 2.3 26.4 1.0
C3 D:2FG2001 2.5 24.3 1.0
OE1 D:GLU537 2.5 36.0 1.0
OE2 D:GLU537 2.9 22.6 1.0
CD D:GLU537 2.9 30.6 1.0
ND2 D:ASN460 2.9 13.5 1.0
O3 D:2FG2001 3.0 23.8 1.0
OD1 D:ASN460 3.2 17.4 1.0
NE2 D:HIS391 3.3 23.1 1.0
CE1 D:HIS391 3.3 22.8 1.0
OE1 D:GLU461 3.4 17.7 1.0
CG D:ASN460 3.4 27.2 1.0
O5 D:2FG2001 3.5 24.0 1.0
CD D:GLU461 3.6 22.8 1.0
C4 D:2FG2001 3.8 23.2 1.0
CE D:MET502 3.9 20.3 1.0
OE2 D:GLU461 3.9 15.5 1.0
C5 D:2FG2001 4.1 24.2 1.0
O D:HOH8546 4.2 15.9 1.0
CG D:GLU461 4.2 15.6 1.0
CG D:GLU537 4.2 18.2 1.0
CZ3 D:TRP568 4.4 20.6 1.0
O4 D:2FG2001 4.4 18.5 1.0
CD2 D:HIS391 4.4 17.4 1.0
ND1 D:HIS391 4.4 24.2 1.0
NH1 D:ARG388 4.6 17.4 1.0
O D:HOH9001 4.7 16.5 1.0
SD D:MET502 4.7 25.2 1.0
CE3 D:TRP568 4.7 18.1 1.0
CH2 D:TRP568 4.7 21.8 1.0
MG D:MG3001 4.9 19.9 1.0
CB D:ASN460 4.9 18.4 1.0
CG D:HIS391 5.0 25.2 1.0

Reference:

D.H.Juers, T.D.Heightman, A.Vasella, J.D.Mccarter, L.Mackenzie, S.G.Withers, B.W.Matthews. A Structural View of the Action of Escherichia Coli (Lacz) Beta-Galactosidase Biochemistry V. 40 14781 2001.
ISSN: ISSN 0006-2960
PubMed: 11732897
DOI: 10.1021/BI011727I
Page generated: Wed Jul 31 11:41:00 2024

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