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Fluorine in PDB 2f90: Crystal Structure of Bisphosphoglycerate Mutase in Complex with 3-Phosphoglycerate and ALF4-

Enzymatic activity of Crystal Structure of Bisphosphoglycerate Mutase in Complex with 3-Phosphoglycerate and ALF4-

All present enzymatic activity of Crystal Structure of Bisphosphoglycerate Mutase in Complex with 3-Phosphoglycerate and ALF4-:
3.1.3.13; 5.4.2.1; 5.4.2.4;

Protein crystallography data

The structure of Crystal Structure of Bisphosphoglycerate Mutase in Complex with 3-Phosphoglycerate and ALF4-, PDB code: 2f90 was solved by Y.Wang, L.Liu, Z.Wei, W.Gong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 48.351, 71.652, 158.772, 90.00, 90.00, 90.00
R / Rfree (%) 18.3 / 22.8

Other elements in 2f90:

The structure of Crystal Structure of Bisphosphoglycerate Mutase in Complex with 3-Phosphoglycerate and ALF4- also contains other interesting chemical elements:

Aluminium (Al) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Bisphosphoglycerate Mutase in Complex with 3-Phosphoglycerate and ALF4- (pdb code 2f90). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the Crystal Structure of Bisphosphoglycerate Mutase in Complex with 3-Phosphoglycerate and ALF4-, PDB code: 2f90:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 2f90

Go back to Fluorine Binding Sites List in 2f90
Fluorine binding site 1 out of 8 in the Crystal Structure of Bisphosphoglycerate Mutase in Complex with 3-Phosphoglycerate and ALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Bisphosphoglycerate Mutase in Complex with 3-Phosphoglycerate and ALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F400

b:14.2
occ:1.00
 F1 A:ALF400 0.0 14.2 1.0
AL A:ALF400 1.8 14.5 1.0
F4 A:ALF400 2.4 13.6 1.0
F3 A:ALF400 2.6 14.2 1.0
NE2 A:HIS11 2.7 14.3 1.0
NH2 A:ARG10 2.7 12.8 1.0
O3 A:3PG408 2.7 12.1 1.0
ND2 A:ASN17 2.8 15.8 1.0
CE1 A:HIS11 3.1 16.6 1.0
C2 A:3PG408 3.1 15.1 1.0
NE A:ARG10 3.2 14.4 1.0
CZ A:ARG10 3.4 14.0 1.0
O A:HOH588 3.5 33.6 1.0
F2 A:ALF400 3.5 13.7 1.0
CG A:ASN17 3.8 17.2 1.0
CD2 A:HIS11 3.9 14.5 1.0
OD1 A:ASN17 4.0 17.3 1.0
C3 A:3PG408 4.0 13.3 1.0
C1 A:3PG408 4.2 15.8 1.0
ND1 A:HIS11 4.3 15.9 1.0
CD A:ARG10 4.5 11.9 1.0
CG2 A:THR214 4.6 13.0 1.0
NH1 A:ARG10 4.6 13.6 1.0
O A:HOH458 4.7 14.6 1.0
CG A:ARG10 4.7 14.2 1.0
O2 A:3PG408 4.7 19.4 1.0
CG A:HIS11 4.7 14.1 1.0
O1P A:3PG408 4.9 14.8 1.0
O A:HOH454 4.9 18.2 1.0
OE2 A:GLU89 4.9 12.9 1.0
NE A:ARG62 5.0 12.7 1.0

Fluorine binding site 2 out of 8 in 2f90

Go back to Fluorine Binding Sites List in 2f90
Fluorine binding site 2 out of 8 in the Crystal Structure of Bisphosphoglycerate Mutase in Complex with 3-Phosphoglycerate and ALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Bisphosphoglycerate Mutase in Complex with 3-Phosphoglycerate and ALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F400

b:13.7
occ:1.00
 F2 A:ALF400 0.0 13.7 1.0
AL A:ALF400 1.8 14.5 1.0
F3 A:ALF400 2.5 14.2 1.0
O3 A:3PG408 2.5 12.1 1.0
F4 A:ALF400 2.5 13.6 1.0
ND1 A:HIS188 2.7 12.6 1.0
NE2 A:HIS11 2.8 14.3 1.0
NH2 A:ARG62 3.1 12.7 1.0
CD2 A:HIS11 3.1 14.5 1.0
CB A:HIS188 3.2 11.8 1.0
CG A:HIS188 3.3 14.5 1.0
OE2 A:GLU89 3.4 12.9 1.0
CG A:GLU89 3.5 11.7 1.0
CB A:GLU89 3.5 11.4 1.0
NE A:ARG62 3.5 12.7 1.0
F1 A:ALF400 3.5 14.2 1.0
CD A:GLU89 3.7 16.5 1.0
CZ A:ARG62 3.7 12.7 1.0
C2 A:3PG408 3.9 15.1 1.0
CE1 A:HIS188 3.9 13.6 1.0
CA A:HIS188 4.0 12.7 1.0
CE1 A:HIS11 4.1 16.6 1.0
N A:GLY189 4.2 13.0 1.0
C1 A:3PG408 4.4 15.8 1.0
O1 A:3PG408 4.5 16.3 1.0
CG A:HIS11 4.5 14.1 1.0
CD2 A:HIS188 4.6 13.7 1.0
C A:HIS188 4.7 12.8 1.0
OE1 A:GLU89 4.7 15.5 1.0
CD A:ARG62 4.8 11.7 1.0
CA A:GLU89 4.8 13.3 1.0
NE2 A:HIS188 4.8 13.8 1.0
C3 A:3PG408 4.9 13.3 1.0
ND1 A:HIS11 4.9 15.9 1.0
NH1 A:ARG62 5.0 12.4 1.0

Fluorine binding site 3 out of 8 in 2f90

Go back to Fluorine Binding Sites List in 2f90
Fluorine binding site 3 out of 8 in the Crystal Structure of Bisphosphoglycerate Mutase in Complex with 3-Phosphoglycerate and ALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Bisphosphoglycerate Mutase in Complex with 3-Phosphoglycerate and ALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F400

b:14.2
occ:1.00
 F3 A:ALF400 0.0 14.2 1.0
AL A:ALF400 1.8 14.5 1.0
F2 A:ALF400 2.5 13.7 1.0
F1 A:ALF400 2.6 14.2 1.0
O A:HOH588 2.7 33.6 1.0
NE2 A:HIS11 2.7 14.3 1.0
O3 A:3PG408 2.7 12.1 1.0
NH2 A:ARG62 2.8 12.7 1.0
NE A:ARG62 2.9 12.7 1.0
CZ A:ARG62 3.2 12.7 1.0
CE1 A:HIS11 3.3 16.6 1.0
C2 A:3PG408 3.4 15.1 1.0
F4 A:ALF400 3.6 13.6 1.0
NE2 A:GLN28 3.6 27.6 1.0
C1 A:3PG408 3.6 15.8 1.0
CD2 A:HIS11 3.8 14.5 1.0
O2 A:3PG408 4.0 19.4 1.0
CB A:CYS23 4.1 16.4 1.0
CD A:ARG62 4.1 11.7 1.0
O1 A:3PG408 4.3 16.3 1.0
ND2 A:ASN17 4.5 15.8 1.0
NH1 A:ARG62 4.5 12.4 1.0
OD1 A:ASN17 4.5 17.3 1.0
ND1 A:HIS11 4.5 15.9 1.0
SG A:CYS23 4.7 18.4 1.0
N A:SER24 4.7 14.2 1.0
ND1 A:HIS188 4.7 12.6 1.0
CG A:HIS11 4.8 14.1 1.0
O A:HOH458 4.8 14.6 1.0
C3 A:3PG408 4.8 13.3 1.0
CD A:GLN28 4.9 25.1 1.0
CG A:ASN17 4.9 17.2 1.0
OE2 A:GLU89 5.0 12.9 1.0

Fluorine binding site 4 out of 8 in 2f90

Go back to Fluorine Binding Sites List in 2f90
Fluorine binding site 4 out of 8 in the Crystal Structure of Bisphosphoglycerate Mutase in Complex with 3-Phosphoglycerate and ALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Bisphosphoglycerate Mutase in Complex with 3-Phosphoglycerate and ALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F400

b:13.6
occ:1.00
 F4 A:ALF400 0.0 13.6 1.0
AL A:ALF400 1.8 14.5 1.0
F1 A:ALF400 2.4 14.2 1.0
F2 A:ALF400 2.5 13.7 1.0
O3 A:3PG408 2.6 12.1 1.0
NE2 A:HIS11 2.7 14.3 1.0
NE A:ARG10 2.7 14.4 1.0
N A:GLY189 2.8 13.0 1.0
CD2 A:HIS11 3.2 14.5 1.0
CG A:ARG10 3.3 14.2 1.0
OE2 A:GLU89 3.4 12.9 1.0
CD A:ARG10 3.5 11.9 1.0
F3 A:ALF400 3.6 14.2 1.0
CA A:GLY189 3.6 14.3 1.0
CZ A:ARG10 3.6 14.0 1.0
NH2 A:ARG10 3.7 12.8 1.0
CE1 A:HIS11 3.7 16.6 1.0
C A:HIS188 3.8 12.8 1.0
C2 A:3PG408 3.8 15.1 1.0
CA A:HIS188 3.8 12.7 1.0
CB A:HIS188 3.8 11.8 1.0
CG A:HIS11 4.3 14.1 1.0
C3 A:3PG408 4.3 13.3 1.0
CD A:GLU89 4.4 16.5 1.0
ND1 A:HIS188 4.5 12.6 1.0
ND1 A:HIS11 4.6 15.9 1.0
CG A:HIS188 4.7 14.5 1.0
CB A:ARG10 4.7 12.4 1.0
NH1 A:ARG10 4.9 13.6 1.0
C A:GLY189 4.9 15.1 1.0
O A:HIS188 4.9 12.0 1.0
C1 A:3PG408 5.0 15.8 1.0
CG A:GLU89 5.0 11.7 1.0

Fluorine binding site 5 out of 8 in 2f90

Go back to Fluorine Binding Sites List in 2f90
Fluorine binding site 5 out of 8 in the Crystal Structure of Bisphosphoglycerate Mutase in Complex with 3-Phosphoglycerate and ALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of Bisphosphoglycerate Mutase in Complex with 3-Phosphoglycerate and ALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:16.4
occ:1.00
 F1 B:ALF401 0.0 16.4 1.0
AL B:ALF401 1.8 16.5 1.0
F4 B:ALF401 2.4 17.0 1.0
F3 B:ALF401 2.6 15.4 1.0
NE2 B:HIS11 2.7 15.7 1.0
ND2 B:ASN17 2.8 15.1 1.0
O3 B:3PG409 2.8 15.4 1.0
NH2 B:ARG10 2.8 13.2 1.0
CE1 B:HIS11 3.0 16.0 1.0
C2 B:3PG409 3.2 18.0 1.0
NE B:ARG10 3.4 11.8 1.0
CZ B:ARG10 3.5 13.6 1.0
F2 B:ALF401 3.5 13.2 1.0
CG B:ASN17 3.7 18.6 1.0
O B:HOH601 3.7 39.5 1.0
OD1 B:ASN17 3.7 18.1 1.0
CD2 B:HIS11 4.0 15.1 1.0
C3 B:3PG409 4.1 17.1 1.0
ND1 B:HIS11 4.2 15.7 1.0
C1 B:3PG409 4.3 17.9 1.0
O B:HOH466 4.6 15.9 1.0
CG2 B:THR214 4.6 16.9 1.0
CD B:ARG10 4.7 10.4 1.0
O1 B:3PG409 4.7 20.9 1.0
CG B:HIS11 4.7 14.7 1.0
NH1 B:ARG10 4.8 11.0 1.0
O B:HOH442 4.8 13.9 1.0
CG B:ARG10 4.9 13.2 1.0
NE B:ARG62 4.9 12.3 1.0
OE2 B:GLU89 4.9 11.5 1.0
O B:HOH618 5.0 37.6 1.0
O1P B:3PG409 5.0 17.8 1.0

Fluorine binding site 6 out of 8 in 2f90

Go back to Fluorine Binding Sites List in 2f90
Fluorine binding site 6 out of 8 in the Crystal Structure of Bisphosphoglycerate Mutase in Complex with 3-Phosphoglycerate and ALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of Bisphosphoglycerate Mutase in Complex with 3-Phosphoglycerate and ALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:13.2
occ:1.00
 F2 B:ALF401 0.0 13.2 1.0
AL B:ALF401 1.8 16.5 1.0
O3 B:3PG409 2.5 15.4 1.0
F3 B:ALF401 2.5 15.4 1.0
F4 B:ALF401 2.5 17.0 1.0
ND1 B:HIS188 2.7 15.0 1.0
NE2 B:HIS11 2.8 15.7 1.0
CB B:HIS188 3.1 14.2 1.0
CD2 B:HIS11 3.1 15.1 1.0
NH2 B:ARG62 3.2 14.0 1.0
CG B:HIS188 3.3 13.8 1.0
OE2 B:GLU89 3.3 11.5 1.0
CG B:GLU89 3.5 12.5 1.0
NE B:ARG62 3.5 12.3 1.0
F1 B:ALF401 3.5 16.4 1.0
CB B:GLU89 3.5 11.4 1.0
CD B:GLU89 3.7 13.8 1.0
CZ B:ARG62 3.7 13.3 1.0
C2 B:3PG409 3.9 18.0 1.0
CE1 B:HIS188 3.9 15.1 1.0
CA B:HIS188 4.0 14.1 1.0
CE1 B:HIS11 4.1 16.0 1.0
N B:GLY189 4.2 14.3 1.0
C1 B:3PG409 4.3 17.9 1.0
O2 B:3PG409 4.4 22.3 1.0
CG B:HIS11 4.5 14.7 1.0
CD2 B:HIS188 4.6 14.5 1.0
C B:HIS188 4.6 15.0 1.0
OE1 B:GLU89 4.7 13.0 1.0
CD B:ARG62 4.7 13.2 1.0
CA B:GLU89 4.8 13.6 1.0
NE2 B:HIS188 4.8 15.2 1.0
C3 B:3PG409 4.9 17.1 1.0
ND1 B:HIS11 4.9 15.7 1.0

Fluorine binding site 7 out of 8 in 2f90

Go back to Fluorine Binding Sites List in 2f90
Fluorine binding site 7 out of 8 in the Crystal Structure of Bisphosphoglycerate Mutase in Complex with 3-Phosphoglycerate and ALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of Bisphosphoglycerate Mutase in Complex with 3-Phosphoglycerate and ALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:15.4
occ:1.00
 F3 B:ALF401 0.0 15.4 1.0
AL B:ALF401 1.8 16.5 1.0
F2 B:ALF401 2.5 13.2 1.0
O3 B:3PG409 2.6 15.4 1.0
F1 B:ALF401 2.6 16.4 1.0
N B:GLY189 2.7 14.3 1.0
NE B:ARG10 2.8 11.8 1.0
NE2 B:HIS11 2.9 15.7 1.0
OE2 B:GLU89 3.2 11.5 1.0
CD2 B:HIS11 3.3 15.1 1.0
CA B:GLY189 3.4 14.2 1.0
CG B:ARG10 3.5 13.2 1.0
F4 B:ALF401 3.6 17.0 1.0
CZ B:ARG10 3.6 13.6 1.0
CD B:ARG10 3.6 10.4 1.0
C B:HIS188 3.6 15.0 1.0
NH2 B:ARG10 3.6 13.2 1.0
CB B:HIS188 3.7 14.2 1.0
CA B:HIS188 3.7 14.1 1.0
C2 B:3PG409 3.7 18.0 1.0
CE1 B:HIS11 3.9 16.0 1.0
C3 B:3PG409 4.2 17.1 1.0
CD B:GLU89 4.2 13.8 1.0
CG B:HIS11 4.4 14.7 1.0
ND1 B:HIS188 4.5 15.0 1.0
CG B:HIS188 4.6 13.8 1.0
C B:GLY189 4.7 14.1 1.0
ND1 B:HIS11 4.7 15.7 1.0
O B:HIS188 4.8 15.7 1.0
N B:ASN190 4.8 13.4 1.0
CB B:ARG10 4.8 13.6 1.0
CG B:GLU89 4.8 12.5 1.0
NH1 B:ARG10 4.9 11.0 1.0
C1 B:3PG409 4.9 17.9 1.0

Fluorine binding site 8 out of 8 in 2f90

Go back to Fluorine Binding Sites List in 2f90
Fluorine binding site 8 out of 8 in the Crystal Structure of Bisphosphoglycerate Mutase in Complex with 3-Phosphoglycerate and ALF4-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of Bisphosphoglycerate Mutase in Complex with 3-Phosphoglycerate and ALF4- within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:17.0
occ:1.00
 F4 B:ALF401 0.0 17.0 1.0
AL B:ALF401 1.8 16.5 1.0
F1 B:ALF401 2.4 16.4 1.0
F2 B:ALF401 2.5 13.2 1.0
O3 B:3PG409 2.7 15.4 1.0
NE2 B:HIS11 2.7 15.7 1.0
O B:HOH601 2.9 39.5 1.0
NE B:ARG62 3.0 12.3 1.0
NH2 B:ARG62 3.0 14.0 1.0
C2 B:3PG409 3.3 18.0 1.0
CE1 B:HIS11 3.3 16.0 1.0
CZ B:ARG62 3.4 13.3 1.0
F3 B:ALF401 3.6 15.4 1.0
C1 B:3PG409 3.6 17.9 1.0
CD2 B:HIS11 3.9 15.1 1.0
O1 B:3PG409 3.9 20.9 1.0
CD B:ARG62 4.1 13.2 1.0
CB B:CYS23 4.1 16.2 1.0
O2 B:3PG409 4.3 22.3 1.0
OD1 B:ASN17 4.3 18.1 1.0
ND2 B:ASN17 4.3 15.1 1.0
ND1 B:HIS11 4.6 15.7 1.0
O B:HOH466 4.6 15.9 1.0
NH1 B:ARG62 4.7 12.2 1.0
CG B:ASN17 4.7 18.6 1.0
ND1 B:HIS188 4.8 15.0 1.0
SG B:CYS23 4.8 18.0 1.0
C3 B:3PG409 4.8 17.1 1.0
O B:HOH647 4.8 17.5 1.0
N B:SER24 4.8 15.4 1.0
CG B:HIS11 4.8 14.7 1.0
OE2 B:GLU89 4.9 11.5 1.0

Reference:

Y.Wang, L.Liu, Z.Wei, Z.Cheng, Y.Lin, W.Gong. Seeing the Process of Histidine Phosphorylation in Human Bisphosphoglycerate Mutase J.Biol.Chem. V. 281 39642 2006.
ISSN: ISSN 0021-9258
PubMed: 17052986
DOI: 10.1074/JBC.M606421200
Page generated: Sun Dec 13 11:35:50 2020

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