Phosphorus in PDB 1a95: Xprtase From E. Coli Complexed with Mg:Cprpp and Guanine

Enzymatic activity of Xprtase From E. Coli Complexed with Mg:Cprpp and Guanine

All present enzymatic activity of Xprtase From E. Coli Complexed with Mg:Cprpp and Guanine:
2.4.2.22;

Protein crystallography data

The structure of Xprtase From E. Coli Complexed with Mg:Cprpp and Guanine, PDB code: 1a95 was solved by S.Vos, R.J.Parry, M.R.Burns, J.De Jersey, J.L.Martin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.00
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 94.200, 94.200, 165.900, 90.00, 90.00, 90.00
R / Rfree (%) 20.7 / 23.2

Phosphorus Binding Sites:

The binding sites of Phosphorus atom in the Xprtase From E. Coli Complexed with Mg:Cprpp and Guanine (pdb code 1a95). This binding sites where shown within 5.0 Angstroms radius around Phosphorus atom.
In total 6 binding sites of Phosphorus where determined in the Xprtase From E. Coli Complexed with Mg:Cprpp and Guanine, PDB code: 1a95:
Jump to Phosphorus binding site number: 1; 2; 3; 4; 5; 6;

Phosphorus binding site 1 out of 6 in 1a95

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Phosphorus binding site 1 out of 6 in the Xprtase From E. Coli Complexed with Mg:Cprpp and Guanine


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 1 of Xprtase From E. Coli Complexed with Mg:Cprpp and Guanine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:P301

b:44.3
occ:1.00
P B:PCP301 0.0 44.3 1.0
O2P B:PCP301 1.5 43.7 1.0
O1P B:PCP301 1.5 41.7 1.0
O3P B:PCP301 1.5 44.4 1.0
OP B:PCP301 1.6 51.4 1.0
CP B:PCP301 2.7 61.2 1.0
OG1 B:THR93 3.4 28.7 1.0
O B:HOH466 3.7 17.3 1.0
N B:THR93 3.8 26.4 1.0
C4 B:PCP301 3.8 68.5 1.0
CB B:ASP92 4.0 26.4 1.0
N B:GLY94 4.0 23.1 1.0
NH1 B:ARG69 4.0 39.6 1.0
N B:ASP92 4.0 23.5 1.0
NH2 B:ARG69 4.1 40.4 1.0
OG1 B:THR96 4.1 24.3 1.0
N B:GLY95 4.1 21.3 1.0
N B:THR96 4.3 22.3 1.0
CA B:ASP92 4.4 25.1 1.0
C5 B:PCP301 4.4 72.7 1.0
CB B:THR93 4.5 28.2 1.0
CZ B:ARG69 4.5 40.1 1.0
CA B:THR93 4.6 26.2 1.0
C B:ASP92 4.6 25.9 1.0
CB B:THR96 4.7 25.6 1.0
C B:THR93 4.8 25.7 1.0
CA B:GLY94 4.8 22.3 1.0
CA B:GLY95 4.8 21.3 1.0
C B:GLY94 4.9 21.5 1.0

Phosphorus binding site 2 out of 6 in 1a95

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Phosphorus binding site 2 out of 6 in the Xprtase From E. Coli Complexed with Mg:Cprpp and Guanine


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 2 of Xprtase From E. Coli Complexed with Mg:Cprpp and Guanine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:P301

b:89.1
occ:1.00
PA B:PCP301 0.0 89.1 1.0
O1A B:PCP301 1.5 89.1 1.0
O2A B:PCP301 1.5 89.4 1.0
O3A B:PCP301 1.5 90.3 1.0
O1 B:PCP301 1.6 83.8 1.0
C1 B:PCP301 2.7 76.2 1.0
PB B:PCP301 2.8 90.0 1.0
C5 B:PCP301 3.1 72.7 1.0
O2B B:PCP301 3.2 90.5 1.0
MG B:MG308 3.2 43.9 1.0
O B:HOH535 3.6 44.5 1.0
O1B B:PCP301 3.7 90.3 1.0
O3B B:PCP301 3.9 90.2 1.0
C2 B:PCP301 4.0 73.5 1.0
O2 B:PCP301 4.2 73.0 1.0
C4 B:PCP301 4.4 68.5 1.0
C3 B:PCP301 4.6 71.2 1.0
O3 B:PCP301 4.6 70.3 1.0

Phosphorus binding site 3 out of 6 in 1a95

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Phosphorus binding site 3 out of 6 in the Xprtase From E. Coli Complexed with Mg:Cprpp and Guanine


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 3 of Xprtase From E. Coli Complexed with Mg:Cprpp and Guanine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:P301

b:90.0
occ:1.00
PB B:PCP301 0.0 90.0 1.0
O2B B:PCP301 1.4 90.5 1.0
O3B B:PCP301 1.5 90.2 1.0
O1B B:PCP301 1.5 90.3 1.0
O3A B:PCP301 1.5 90.3 1.0
PA B:PCP301 2.8 89.1 1.0
O1 B:PCP301 3.0 83.8 1.0
MG B:MG308 3.3 43.9 1.0
O2A B:PCP301 3.6 89.4 1.0
O B:HOH535 3.8 44.5 1.0
N B:ARG37 3.8 17.4 1.0
O1A B:PCP301 4.0 89.1 1.0
NE B:ARG37 4.0 26.3 1.0
N B:GLY38 4.1 15.5 1.0
NH2 B:ARG37 4.1 28.3 1.0
CB B:ARG37 4.3 18.4 1.0
C1 B:PCP301 4.4 76.2 1.0
O2 B:PCP301 4.4 73.0 1.0
CA B:ARG37 4.5 17.4 1.0
O B:HOH536 4.5 40.4 1.0
CZ B:ARG37 4.6 27.7 1.0
O B:HOH484 4.6 35.5 1.0
O B:SER36 4.7 19.5 1.0
C B:SER36 4.7 17.8 1.0
C B:ARG37 4.7 16.3 1.0
CG B:ARG37 4.8 21.6 1.0
CA B:GLY38 5.0 14.0 1.0
CD B:ARG37 5.0 24.3 1.0

Phosphorus binding site 4 out of 6 in 1a95

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Phosphorus binding site 4 out of 6 in the Xprtase From E. Coli Complexed with Mg:Cprpp and Guanine


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 4 of Xprtase From E. Coli Complexed with Mg:Cprpp and Guanine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:P302

b:32.1
occ:1.00
P C:PCP302 0.0 32.1 1.0
O2P C:PCP302 1.5 33.8 1.0
O1P C:PCP302 1.5 31.3 1.0
O3P C:PCP302 1.5 32.5 1.0
OP C:PCP302 1.6 39.5 1.0
CP C:PCP302 2.7 48.9 1.0
NH2 C:ARG69 3.3 36.5 1.0
O C:HOH463 3.5 27.4 1.0
OG1 C:THR93 3.6 22.7 1.0
O C:HOH487 3.7 30.6 1.0
C4 C:PCP302 3.8 55.8 1.0
OG1 C:THR96 3.8 18.6 1.0
N C:THR93 3.8 24.8 1.0
NH1 C:ARG69 4.0 35.1 1.0
CB C:ASP92 4.0 26.6 1.0
N C:ASP92 4.0 23.0 1.0
N C:GLY94 4.0 21.4 1.0
N C:GLY95 4.1 17.1 1.0
CZ C:ARG69 4.1 35.3 1.0
N C:THR96 4.1 18.4 1.0
CA C:ASP92 4.4 24.0 1.0
CB C:THR96 4.5 19.2 1.0
C5 C:PCP302 4.5 59.5 1.0
C C:ASP92 4.6 25.1 1.0
CB C:THR93 4.7 24.1 1.0
CA C:THR93 4.7 23.6 1.0
CA C:GLY95 4.7 16.3 1.0
C C:GLY94 4.8 18.9 1.0
CA C:GLY94 4.8 19.2 1.0
C C:THR93 4.8 23.4 1.0
CA C:THR96 5.0 18.8 1.0
C C:GLY95 5.0 16.9 1.0

Phosphorus binding site 5 out of 6 in 1a95

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Phosphorus binding site 5 out of 6 in the Xprtase From E. Coli Complexed with Mg:Cprpp and Guanine


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 5 of Xprtase From E. Coli Complexed with Mg:Cprpp and Guanine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:P302

b:71.5
occ:1.00
PA C:PCP302 0.0 71.5 1.0
O2A C:PCP302 1.5 71.3 1.0
O1A C:PCP302 1.5 72.1 1.0
O3A C:PCP302 1.5 70.5 1.0
O1 C:PCP302 1.6 67.3 1.0
C1 C:PCP302 2.7 61.9 1.0
PB C:PCP302 2.8 66.9 1.0
C5 C:PCP302 3.1 59.5 1.0
O2B C:PCP302 3.2 67.7 1.0
MG C:MG307 3.5 36.9 1.0
O1B C:PCP302 3.6 66.1 1.0
O C:HOH533 3.9 38.3 1.0
O3B C:PCP302 3.9 68.9 1.0
C2 C:PCP302 4.0 59.7 1.0
O2 C:PCP302 4.3 59.7 1.0
C4 C:PCP302 4.4 55.8 1.0
C3 C:PCP302 4.6 57.9 1.0
O3 C:PCP302 4.7 57.1 1.0
N9 C:GUN303 5.0 50.6 1.0

Phosphorus binding site 6 out of 6 in 1a95

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Phosphorus binding site 6 out of 6 in the Xprtase From E. Coli Complexed with Mg:Cprpp and Guanine


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 6 of Xprtase From E. Coli Complexed with Mg:Cprpp and Guanine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:P302

b:66.9
occ:1.00
PB C:PCP302 0.0 66.9 1.0
O2B C:PCP302 1.4 67.7 1.0
O3B C:PCP302 1.5 68.9 1.0
O1B C:PCP302 1.5 66.1 1.0
O3A C:PCP302 1.5 70.5 1.0
PA C:PCP302 2.8 71.5 1.0
O1 C:PCP302 3.0 67.3 1.0
MG C:MG307 3.4 36.9 1.0
O2A C:PCP302 3.6 71.3 1.0
NE C:ARG37 4.0 24.5 1.0
O1A C:PCP302 4.0 72.1 1.0
NH2 C:ARG37 4.0 27.6 1.0
N C:ARG37 4.0 17.8 1.0
O C:HOH533 4.1 38.3 1.0
O C:HOH453 4.2 36.1 1.0
N C:GLY38 4.3 16.9 1.0
CB C:ARG37 4.4 19.1 1.0
C1 C:PCP302 4.4 61.9 1.0
CZ C:ARG37 4.5 27.0 1.0
O2 C:PCP302 4.5 59.7 1.0
CA C:ARG37 4.7 17.5 1.0
O C:HOH534 4.7 37.8 1.0
O C:HOH418 4.8 27.1 1.0
CG C:ARG37 4.8 20.5 1.0
C C:ARG37 4.9 18.1 1.0
O C:HOH421 4.9 37.3 1.0

Reference:

S.Vos, R.J.Parry, M.R.Burns, J.De Jersey, J.L.Martin. Structures of Free and Complexed Forms of Escherichia Coli Xanthine-Guanine Phosphoribosyltransferase. J.Mol.Biol. V. 282 875 1998.
ISSN: ISSN 0022-2836
PubMed: 9743633
DOI: 10.1006/JMBI.1998.2051
Page generated: Fri Sep 25 12:31:11 2020

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