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Magnesium in PDB 6apv: Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-{[2-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl) Ethyl][(E)-2-Phosphonoethenyl]Amino}Ethoxy)Methyl]Phosphonic Acid

Enzymatic activity of Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-{[2-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl) Ethyl][(E)-2-Phosphonoethenyl]Amino}Ethoxy)Methyl]Phosphonic Acid

All present enzymatic activity of Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-{[2-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl) Ethyl][(E)-2-Phosphonoethenyl]Amino}Ethoxy)Methyl]Phosphonic Acid:
2.4.2.8;

Protein crystallography data

The structure of Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-{[2-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl) Ethyl][(E)-2-Phosphonoethenyl]Amino}Ethoxy)Methyl]Phosphonic Acid, PDB code: 6apv was solved by D.Teran, L.W.Guddat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.28 / 1.99
Space group P 21 2 21
Cell size a, b, c (Å), α, β, γ (°) 89.480, 94.555, 109.692, 90.00, 90.00, 90.00
R / Rfree (%) 16.4 / 19.8

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-{[2-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl) Ethyl][(E)-2-Phosphonoethenyl]Amino}Ethoxy)Methyl]Phosphonic Acid (pdb code 6apv). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 9 binding sites of Magnesium where determined in the Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-{[2-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl) Ethyl][(E)-2-Phosphonoethenyl]Amino}Ethoxy)Methyl]Phosphonic Acid, PDB code: 6apv:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Magnesium binding site 1 out of 9 in 6apv

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Magnesium binding site 1 out of 9 in the Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-{[2-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl) Ethyl][(E)-2-Phosphonoethenyl]Amino}Ethoxy)Methyl]Phosphonic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-{[2-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl) Ethyl][(E)-2-Phosphonoethenyl]Amino}Ethoxy)Methyl]Phosphonic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg302

b:25.0
occ:1.00
 OD2 A:ASP173 2.0 16.9 1.0
O A:HOH406 2.1 30.2 1.0
O A:HOH491 2.1 20.9 1.0
O A:HOH443 2.2 27.2 1.0
OAH A:3L4301 2.2 24.4 1.0
O A:HOH474 2.2 22.0 1.0
CG A:ASP173 3.0 16.1 1.0
OD1 A:ASP173 3.3 17.6 1.0
OAT A:3L4301 3.4 37.4 1.0
PBB A:3L4301 3.6 26.4 1.0
O A:HOH432 3.8 24.3 1.0
CAP A:3L4301 4.0 31.6 1.0
O A:HOH521 4.1 28.0 1.0
NH1 A:ARG179 4.3 11.8 1.0
CAJ A:3L4301 4.3 38.5 1.0
O A:ASP173 4.3 15.0 1.0
CB A:ASP173 4.4 12.7 1.0
OAG A:3L4301 4.4 21.3 1.0
N3 A:3L4301 4.4 14.7 1.0
O A:HOH541 4.5 19.8 0.6
NH2 A:ARG179 4.5 10.1 1.0
O A:HOH425 4.5 28.6 1.0
N2 A:3L4301 4.5 14.5 1.0
O A:HOH541 4.6 22.4 0.4
OAD A:3L4301 4.6 23.0 1.0
N A:ASP173 4.6 10.2 1.0
CZ A:ARG179 4.8 12.8 1.0
C A:ASP173 4.8 14.0 1.0
CA A:ASP173 4.9 12.0 1.0
CAL A:3L4301 5.0 22.6 1.0

Magnesium binding site 2 out of 9 in 6apv

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Magnesium binding site 2 out of 9 in the Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-{[2-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl) Ethyl][(E)-2-Phosphonoethenyl]Amino}Ethoxy)Methyl]Phosphonic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-{[2-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl) Ethyl][(E)-2-Phosphonoethenyl]Amino}Ethoxy)Methyl]Phosphonic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg303

b:54.4
occ:1.00
 OE2 A:GLU113 2.5 23.1 0.4
OAG A:3L4301 2.6 21.3 1.0
OD1 A:ASP114 2.9 33.0 1.0
O A:VAL52 3.2 15.6 1.0
OG A:SER56 3.3 15.7 0.5
N A:GLY55 3.3 13.3 1.0
CG A:ASP114 3.5 29.1 1.0
CD A:GLU113 3.5 20.6 0.4
OD2 A:ASP114 3.6 36.2 1.0
N A:SER56 3.6 14.7 0.5
N A:SER56 3.6 14.6 0.5
CA A:GLY55 3.7 14.8 1.0
O A:HOH432 3.9 24.3 1.0
PBB A:3L4301 3.9 26.4 1.0
CAJ A:3L4301 4.0 38.5 1.0
C A:GLY55 4.0 19.2 1.0
C A:LEU53 4.0 20.1 1.0
N A:LYS54 4.0 15.6 1.0
O A:LEU53 4.1 18.8 1.0
OE1 A:GLU113 4.1 22.5 0.4
C A:VAL52 4.2 15.2 1.0
C A:LYS54 4.2 16.0 1.0
CAP A:3L4301 4.3 31.6 1.0
CB A:SER56 4.4 15.6 0.5
CB A:SER56 4.5 15.5 0.5
CA A:SER56 4.6 14.3 0.5
CG A:GLU113 4.6 20.6 0.4
CA A:SER56 4.6 14.2 0.5
N A:ASP114 4.6 15.5 1.0
OAT A:3L4301 4.6 37.4 1.0
OAD A:3L4301 4.7 23.0 1.0
CG1 A:VAL52 4.7 14.6 1.0
CB A:ASP114 4.7 19.6 1.0
CG A:GLU113 4.8 20.6 0.6
CA A:LYS54 4.8 16.4 1.0
CA A:LEU53 4.8 15.3 1.0
CB A:VAL52 4.8 14.0 1.0
N A:LEU53 4.8 15.8 1.0
OG A:SER56 5.0 16.2 0.5
CAK A:3L4301 5.0 35.7 1.0

Magnesium binding site 3 out of 9 in 6apv

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Magnesium binding site 3 out of 9 in the Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-{[2-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl) Ethyl][(E)-2-Phosphonoethenyl]Amino}Ethoxy)Methyl]Phosphonic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-{[2-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl) Ethyl][(E)-2-Phosphonoethenyl]Amino}Ethoxy)Methyl]Phosphonic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg302

b:21.0
occ:1.00
 OD2 B:ASP173 2.0 15.3 1.0
OAG B:3L4301 2.1 19.1 1.0
O B:HOH419 2.1 19.5 1.0
O B:HOH418 2.1 20.3 1.0
O B:HOH502 2.2 17.7 1.0
O B:HOH504 2.2 21.2 1.0
CG B:ASP173 3.0 13.6 1.0
OD1 B:ASP173 3.3 13.1 1.0
PBB B:3L4301 3.5 19.4 1.0
OAT B:3L4301 3.7 31.6 1.0
O B:HOH402 3.8 16.4 1.0
CAP B:3L4301 4.0 25.1 1.0
NH1 B:ARG179 4.2 10.6 1.0
O B:HOH526 4.2 24.9 1.0
NH2 B:ARG179 4.3 10.3 1.0
O B:ASP173 4.3 11.8 1.0
OAD B:3L4301 4.3 18.2 1.0
O B:HOH481 4.3 19.2 0.5
CB B:ASP173 4.4 10.4 1.0
N3 B:3L4301 4.4 10.2 1.0
OAH B:3L4301 4.4 19.2 1.0
N2 B:3L4301 4.5 12.9 1.0
CAJ B:3L4301 4.5 32.7 1.0
N B:ASP173 4.5 9.7 1.0
O B:HOH481 4.6 9.8 0.6
CZ B:ARG179 4.6 12.7 1.0
O B:HOH435 4.7 27.4 1.0
CA B:ASP173 4.8 10.2 1.0
C B:ASP173 4.8 12.4 1.0
C2 B:3L4301 5.0 12.3 1.0

Magnesium binding site 4 out of 9 in 6apv

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Magnesium binding site 4 out of 9 in the Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-{[2-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl) Ethyl][(E)-2-Phosphonoethenyl]Amino}Ethoxy)Methyl]Phosphonic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-{[2-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl) Ethyl][(E)-2-Phosphonoethenyl]Amino}Ethoxy)Methyl]Phosphonic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg303

b:50.1
occ:1.00
 OE1 B:GLU113 2.5 29.1 0.5
OAD B:3L4301 2.7 18.2 1.0
O B:VAL52 3.0 14.9 1.0
OD2 B:ASP114 3.1 23.1 0.5
CD B:GLU113 3.1 25.2 0.5
OD1 B:ASP114 3.1 23.8 0.5
OE2 B:GLU113 3.2 30.3 0.5
OG B:SER56 3.4 14.0 0.6
CAJ B:3L4301 3.5 32.7 1.0
N B:GLY55 3.6 12.7 1.0
OD2 B:ASP114 3.6 27.2 0.5
CG B:ASP114 3.6 22.9 0.5
O B:LEU53 3.8 15.4 1.0
N B:SER56 3.9 14.3 0.4
N B:SER56 3.9 13.8 0.6
C B:LEU53 3.9 19.6 1.0
PBB B:3L4301 4.0 19.4 1.0
C B:VAL52 4.0 17.1 1.0
N B:LYS54 4.0 19.8 1.0
CG B:ASP114 4.1 23.5 0.5
CAP B:3L4301 4.1 25.1 1.0
CA B:GLY55 4.1 14.9 1.0
O B:HOH402 4.2 16.4 1.0
CG1 B:VAL52 4.3 18.1 1.0
CG B:GLU113 4.3 21.3 0.5
OAT B:3L4301 4.3 31.6 1.0
CAK B:3L4301 4.4 29.9 1.0
OD1 B:ASP114 4.4 25.3 0.5
C B:GLY55 4.4 18.3 1.0
CB B:VAL52 4.5 16.4 1.0
C B:LYS54 4.5 18.6 1.0
CB B:SER56 4.5 14.1 0.6
CB B:SER56 4.6 14.2 0.4
CG B:GLU113 4.7 20.6 0.5
CB B:ALA81 4.7 47.0 1.0
N B:ASP114 4.7 15.3 0.5
CA B:LEU53 4.7 17.2 1.0
OAH B:3L4301 4.7 19.2 1.0
N B:LEU53 4.7 15.5 1.0
CA B:SER56 4.8 14.0 0.6
CA B:SER56 4.8 13.9 0.4
N B:ASP114 4.8 15.2 0.5
CB B:ASP114 4.9 19.8 0.5
CA B:VAL52 4.9 13.1 1.0
CA B:LYS54 4.9 17.5 1.0

Magnesium binding site 5 out of 9 in 6apv

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Magnesium binding site 5 out of 9 in the Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-{[2-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl) Ethyl][(E)-2-Phosphonoethenyl]Amino}Ethoxy)Methyl]Phosphonic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-{[2-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl) Ethyl][(E)-2-Phosphonoethenyl]Amino}Ethoxy)Methyl]Phosphonic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg302

b:42.9
occ:1.00
 O C:HOH406 2.1 40.6 1.0
OAG C:3L4301 2.2 32.0 1.0
O C:HOH414 2.3 34.8 1.0
OD1 C:ASP173 2.4 17.6 1.0
O C:HOH462 2.4 29.1 1.0
O C:HOH492 2.5 21.3 1.0
CG C:ASP173 3.3 20.1 1.0
OAT C:3L4301 3.4 40.7 1.0
PBB C:3L4301 3.5 36.9 1.0
OD2 C:ASP173 3.5 22.6 1.0
O C:HOH413 3.9 25.1 1.0
CAP C:3L4301 4.0 38.9 1.0
CAJ C:3L4301 4.3 39.7 1.0
O C:HOH421 4.4 36.8 1.0
OAD C:3L4301 4.5 30.5 1.0
OAH C:3L4301 4.5 37.8 1.0
NH1 C:ARG179 4.5 14.3 1.0
O C:ASP173 4.6 16.3 1.0
N3 C:3L4301 4.6 19.8 1.0
N2 C:3L4301 4.6 15.8 1.0
O C:HOH445 4.6 33.5 1.0
NH2 C:ARG179 4.7 12.0 1.0
CB C:ASP173 4.7 18.9 1.0
CAL C:3L4301 4.9 29.9 1.0
N C:ASP173 5.0 14.7 1.0

Magnesium binding site 6 out of 9 in 6apv

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Magnesium binding site 6 out of 9 in the Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-{[2-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl) Ethyl][(E)-2-Phosphonoethenyl]Amino}Ethoxy)Methyl]Phosphonic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-{[2-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl) Ethyl][(E)-2-Phosphonoethenyl]Amino}Ethoxy)Methyl]Phosphonic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg303

b:39.2
occ:0.75
 MG C:MG303 0.0 39.2 0.8
OE1 C:GLU113 2.3 26.1 0.5
MG C:MG303 2.4 15.6 0.2
OD1 C:ASP114 2.8 36.8 1.0
O C:VAL52 2.9 20.8 1.0
OAD C:3L4301 3.0 30.5 1.0
OG C:SER56 3.1 16.2 0.6
CD C:GLU113 3.3 23.7 0.5
CG C:ASP114 3.4 34.5 1.0
OD2 C:ASP114 3.5 41.3 1.0
N C:GLY55 3.5 17.6 1.0
N C:SER56 3.5 16.3 0.4
N C:SER56 3.5 16.1 0.6
OE2 C:GLU113 3.8 25.6 0.5
C C:VAL52 3.9 19.2 1.0
CA C:GLY55 3.9 17.2 1.0
O C:LEU53 3.9 25.7 1.0
C C:LEU53 4.0 22.1 1.0
C C:GLY55 4.1 18.0 1.0
N C:LYS54 4.2 19.6 1.0
CB C:SER56 4.2 16.6 0.6
CB C:SER56 4.2 16.5 0.4
CAJ C:3L4301 4.2 39.7 1.0
PBB C:3L4301 4.2 36.9 1.0
N C:ASP114 4.3 17.3 1.0
C C:LYS54 4.4 20.1 1.0
CG1 C:VAL52 4.4 21.2 1.0
CAP C:3L4301 4.4 38.9 1.0
CA C:SER56 4.4 16.6 0.6
CB C:VAL52 4.4 17.6 1.0
CA C:SER56 4.4 16.4 0.4
CG C:GLU113 4.4 22.5 0.5
CG C:GLU113 4.5 23.1 0.5
O C:HOH413 4.6 25.1 1.0
CB C:ASP114 4.6 26.3 1.0
CA C:LEU53 4.6 20.2 1.0
N C:LEU53 4.6 17.5 1.0
OG C:SER56 4.6 16.3 0.4
CA C:VAL52 4.8 13.2 1.0
OAT C:3L4301 4.9 40.7 1.0
CA C:LYS54 4.9 20.6 1.0
OAH C:3L4301 5.0 37.8 1.0

Magnesium binding site 7 out of 9 in 6apv

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Magnesium binding site 7 out of 9 in the Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-{[2-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl) Ethyl][(E)-2-Phosphonoethenyl]Amino}Ethoxy)Methyl]Phosphonic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-{[2-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl) Ethyl][(E)-2-Phosphonoethenyl]Amino}Ethoxy)Methyl]Phosphonic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg303

b:15.6
occ:0.25
 MG C:MG303 0.0 15.6 0.2
OE2 C:GLU113 2.0 25.6 0.5
OE1 C:GLU113 2.3 26.1 0.5
CD C:GLU113 2.4 23.7 0.5
MG C:MG303 2.4 39.2 0.8
OE2 C:GLU113 3.5 23.5 0.5
CAJ C:3L4301 3.5 39.7 1.0
CG1 C:VAL52 3.5 21.2 1.0
CG C:GLU113 3.6 23.1 0.5
CG C:GLU113 3.7 22.5 0.5
CAK C:3L4301 3.8 37.8 1.0
OD1 C:ASP114 3.8 36.8 1.0
CB C:ALA81 3.9 53.4 1.0
CD C:GLU113 4.0 22.6 0.5
CAP C:3L4301 4.0 38.9 1.0
CB C:VAL52 4.1 17.6 1.0
OAD C:3L4301 4.2 30.5 1.0
O C:VAL52 4.2 20.8 1.0
OAT C:3L4301 4.3 40.7 1.0
CG2 C:THR121 4.3 26.1 1.0
O C:LEU53 4.4 25.7 1.0
OG C:SER56 4.6 16.2 0.6
C C:VAL52 4.7 19.2 1.0
NAY C:3L4301 4.8 31.3 1.0
PBB C:3L4301 4.8 36.9 1.0
CG C:ASP114 4.9 34.5 1.0
CB C:GLU113 4.9 18.6 0.5
CB C:GLU113 5.0 18.3 0.5

Magnesium binding site 8 out of 9 in 6apv

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Magnesium binding site 8 out of 9 in the Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-{[2-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl) Ethyl][(E)-2-Phosphonoethenyl]Amino}Ethoxy)Methyl]Phosphonic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-{[2-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl) Ethyl][(E)-2-Phosphonoethenyl]Amino}Ethoxy)Methyl]Phosphonic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg302

b:18.1
occ:1.00
 OD2 D:ASP173 2.0 17.2 1.0
O D:HOH425 2.0 19.1 1.0
OAG D:3L4301 2.1 15.0 1.0
O D:HOH443 2.1 17.7 1.0
O D:HOH490 2.2 20.8 1.0
O D:HOH477 2.2 18.2 1.0
CG D:ASP173 3.0 15.5 1.0
PBB D:3L4301 3.4 20.1 1.0
OD1 D:ASP173 3.4 15.9 1.0
CAP D:3L4301 3.7 28.0 1.0
O D:HOH415 3.9 18.9 1.0
NH1 D:ARG179 4.1 12.9 1.0
CAJ D:3L4301 4.2 35.7 1.0
OAD D:3L4301 4.2 18.0 1.0
NH2 D:ARG179 4.3 9.3 1.0
O D:HOH499 4.3 31.0 1.0
O D:ASP173 4.4 13.6 1.0
CB D:ASP173 4.4 11.2 1.0
OAT D:3L4301 4.4 38.5 1.0
OAH D:3L4301 4.4 20.0 1.0
O D:HOH405 4.5 27.5 1.0
N3 D:3L4301 4.5 14.0 1.0
O D:HOH461 4.6 30.4 1.0
N D:ASP173 4.6 11.9 1.0
N2 D:3L4301 4.6 13.1 1.0
CZ D:ARG179 4.6 13.4 1.0
CA D:ASP173 4.9 12.1 1.0
C D:ASP173 4.9 14.9 1.0

Magnesium binding site 9 out of 9 in 6apv

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Magnesium binding site 9 out of 9 in the Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-{[2-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl) Ethyl][(E)-2-Phosphonoethenyl]Amino}Ethoxy)Methyl]Phosphonic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Trypanosoma Brucei Hypoxanthine Guanine Phosphoribosyltransferase in Complex with [(2-{[2-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl) Ethyl][(E)-2-Phosphonoethenyl]Amino}Ethoxy)Methyl]Phosphonic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg303

b:36.1
occ:1.00
 OE2 D:GLU113 2.5 26.2 0.5
OAD D:3L4301 2.8 18.0 1.0
OD1 D:ASP114 2.9 24.3 1.0
O D:VAL52 3.1 19.1 1.0
OG D:SER56 3.3 26.4 1.0
N D:GLY55 3.4 15.0 1.0
CD D:GLU113 3.5 23.3 0.5
N D:SER56 3.6 12.1 1.0
CG D:ASP114 3.6 27.5 1.0
OAT D:3L4301 3.8 38.5 1.0
OD2 D:ASP114 3.8 34.3 1.0
O D:LEU53 3.8 19.9 1.0
C D:LEU53 3.9 18.4 1.0
O D:HOH415 3.9 18.9 1.0
OE1 D:GLU113 3.9 25.0 0.5
N D:LYS54 3.9 17.6 0.5
CA D:GLY55 3.9 15.6 1.0
N D:LYS54 3.9 17.6 0.5
CAJ D:3L4301 4.0 35.7 1.0
C D:VAL52 4.1 21.5 1.0
PBB D:3L4301 4.1 20.1 1.0
C D:GLY55 4.1 16.3 1.0
C D:LYS54 4.2 15.8 0.5
CB D:SER56 4.3 18.8 1.0
C D:LYS54 4.4 16.1 0.5
CA D:SER56 4.5 14.8 1.0
CAK D:3L4301 4.5 31.4 1.0
CG1 D:VAL52 4.5 17.7 1.0
CAP D:3L4301 4.6 28.0 1.0
N D:ASP114 4.6 17.5 1.0
CA D:LEU53 4.6 18.0 1.0
CB D:VAL52 4.7 18.4 1.0
CG D:GLU113 4.7 21.9 0.5
CA D:LYS54 4.7 16.9 0.5
CA D:LYS54 4.7 16.9 0.5
N D:LEU53 4.7 17.9 1.0
OAH D:3L4301 4.8 20.0 1.0
CG D:GLU113 4.8 21.7 0.5
CB D:ASP114 4.9 19.9 1.0
O D:LYS54 5.0 18.4 0.5
CA D:VAL52 5.0 14.3 1.0

Reference:

E.Dolezelova, D.Teran, O.Gahura, Z.Kotrbova, M.Prochazkova, D.Keough, P.Spacek, D.Hockova, L.Guddat, A.Zikova. Evaluation of the Trypanosoma Brucei 6-Oxopurine Salvage Pathway As A Potential Target For Drug Discovery. Plos Negl Trop Dis V. 12 06301 2018.
ISSN: ESSN 1935-2735
PubMed: 29481567
DOI: 10.1371/JOURNAL.PNTD.0006301
Page generated: Mon Sep 30 19:17:19 2024

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