Atomistry » Magnesium » PDB 1qc5-1qsh » 1qha
Atomistry »
  Magnesium »
    PDB 1qc5-1qsh »
      1qha »

Magnesium in PDB 1qha: Human Hexokinase Type I Complexed with Atp Analogue Amp-Pnp

Enzymatic activity of Human Hexokinase Type I Complexed with Atp Analogue Amp-Pnp

All present enzymatic activity of Human Hexokinase Type I Complexed with Atp Analogue Amp-Pnp:
2.7.1.1;

Protein crystallography data

The structure of Human Hexokinase Type I Complexed with Atp Analogue Amp-Pnp, PDB code: 1qha was solved by C.Rosano, E.Sabini, D.Deriu, M.Magnani, M.Bolognesi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 12.00 / 2.25
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 83.590, 176.170, 86.760, 90.00, 90.53, 90.00
R / Rfree (%) 20.8 / 27.9

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Human Hexokinase Type I Complexed with Atp Analogue Amp-Pnp (pdb code 1qha). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Human Hexokinase Type I Complexed with Atp Analogue Amp-Pnp, PDB code: 1qha:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in 1qha

Go back to Magnesium Binding Sites List in 1qha
Magnesium binding site 1 out of 6 in the Human Hexokinase Type I Complexed with Atp Analogue Amp-Pnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Human Hexokinase Type I Complexed with Atp Analogue Amp-Pnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg922

b:28.3
occ:1.00
 O A:VAL248 2.4 37.8 1.0
O A:ILE245 2.6 43.2 1.0
O A:GLY250 2.6 43.9 1.0
O A:LEU242 3.1 40.3 1.0
C A:ILE245 3.5 41.5 1.0
C A:VAL248 3.6 37.9 1.0
N A:GLY250 3.8 40.9 1.0
C A:GLY250 3.9 42.0 1.0
N A:ILE245 4.2 42.7 1.0
C A:LEU242 4.2 40.6 1.0
N A:ASP246 4.3 41.0 1.0
CA A:ASP246 4.3 39.5 1.0
CA A:ILE245 4.4 41.9 1.0
N A:GLU249 4.5 39.8 1.0
CA A:GLY250 4.5 41.1 1.0
CA A:GLU249 4.6 42.2 1.0
CA A:VAL248 4.6 36.6 1.0
O A:ARG243 4.6 42.8 1.0
C A:GLU249 4.6 42.5 1.0
C A:ARG243 4.6 42.6 1.0
N A:VAL248 4.6 36.3 1.0
C A:ASP246 4.7 40.6 1.0
CB A:ILE245 4.7 39.0 1.0
O A:ASP246 4.7 42.0 1.0
N A:ASP251 4.9 41.7 1.0
CB A:VAL248 4.9 34.5 1.0
CA A:ARG243 4.9 43.0 1.0
CD1 A:LEU242 4.9 45.1 1.0
CA A:ASP251 5.0 41.3 1.0

Magnesium binding site 2 out of 6 in 1qha

Go back to Magnesium Binding Sites List in 1qha
Magnesium binding site 2 out of 6 in the Human Hexokinase Type I Complexed with Atp Analogue Amp-Pnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Human Hexokinase Type I Complexed with Atp Analogue Amp-Pnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg923

b:55.6
occ:1.00
 O A:VAL696 2.5 59.6 1.0
O A:GLY698 2.8 63.9 1.0
O A:VAL693 2.9 53.8 1.0
O A:MET690 2.9 54.1 1.0
C A:VAL693 3.6 53.8 1.0
C A:VAL696 3.7 59.7 1.0
C A:MET690 3.8 54.6 1.0
C A:GLY698 3.9 63.5 1.0
N A:GLY698 4.1 62.0 1.0
N A:GLU694 4.3 53.8 1.0
CA A:GLU694 4.3 54.1 1.0
N A:VAL696 4.5 56.3 1.0
C A:GLU697 4.5 62.0 1.0
CA A:VAL693 4.5 53.2 1.0
N A:GLU697 4.6 61.5 1.0
N A:VAL693 4.6 53.4 1.0
CA A:GLU697 4.6 62.3 1.0
C A:GLU694 4.6 55.2 1.0
CA A:LYS691 4.6 57.2 1.0
CA A:VAL696 4.6 57.6 1.0
N A:LYS691 4.6 55.8 1.0
SD A:MET690 4.7 54.6 1.0
CA A:MET690 4.7 53.7 1.0
C A:LYS691 4.7 57.4 1.0
O A:GLU694 4.7 55.1 1.0
CA A:GLY698 4.7 62.6 1.0
CB A:MET690 4.7 54.0 1.0
CA A:ASP699 4.7 63.8 1.0
O A:LYS691 4.7 58.4 1.0
N A:ASP699 4.8 63.0 1.0
CB A:VAL693 4.8 51.9 1.0

Magnesium binding site 3 out of 6 in 1qha

Go back to Magnesium Binding Sites List in 1qha
Magnesium binding site 3 out of 6 in the Human Hexokinase Type I Complexed with Atp Analogue Amp-Pnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Human Hexokinase Type I Complexed with Atp Analogue Amp-Pnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg924

b:74.3
occ:1.00
 O2A A:ANP999 3.6 71.2 1.0
C5' A:ANP999 3.7 56.6 1.0
C8 A:ANP999 4.4 47.6 1.0
C2' A:ANP999 4.5 45.5 1.0
C4' A:ANP999 4.5 50.3 1.0
PA A:ANP999 4.6 69.8 1.0
O5' A:ANP999 4.6 66.9 1.0
C3' A:ANP999 4.6 47.2 1.0
O4' A:ANP999 4.8 45.5 1.0

Magnesium binding site 4 out of 6 in 1qha

Go back to Magnesium Binding Sites List in 1qha
Magnesium binding site 4 out of 6 in the Human Hexokinase Type I Complexed with Atp Analogue Amp-Pnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Human Hexokinase Type I Complexed with Atp Analogue Amp-Pnp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1919

b:29.4
occ:1.00
 O B:VAL696 2.6 38.4 1.0
O B:GLY698 2.7 39.1 1.0
O B:VAL693 2.7 33.3 1.0
O B:MET690 2.8 41.8 1.0
OD1 B:ASP699 3.5 42.2 1.0
C B:VAL693 3.6 33.2 1.0
C B:GLY698 3.7 37.8 1.0
C B:VAL696 3.8 38.5 1.0
N B:GLY698 3.9 40.4 1.0
C B:MET690 3.9 41.5 1.0
CA B:GLU694 4.2 33.0 1.0
N B:GLU694 4.2 33.1 1.0
C B:GLU697 4.3 42.9 1.0
N B:VAL693 4.4 35.8 1.0
CA B:VAL693 4.4 34.2 1.0
CE B:MET690 4.4 44.2 1.0
CA B:GLY698 4.4 37.5 1.0
CA B:GLU697 4.5 42.8 1.0
O B:LYS691 4.6 40.2 1.0
N B:ASP699 4.6 37.4 1.0
N B:GLU697 4.6 40.3 1.0
C B:GLU694 4.6 34.6 1.0
C B:LYS691 4.7 42.1 1.0
CA B:LYS691 4.7 42.9 1.0
N B:LYS691 4.7 41.6 1.0
CG B:ASP699 4.7 43.4 1.0
CB B:VAL693 4.8 29.1 1.0
CA B:ASP699 4.8 36.6 1.0
N B:VAL696 4.8 36.1 1.0
CA B:MET690 4.8 41.7 1.0
CA B:VAL696 4.9 37.7 1.0
CB B:MET690 4.9 43.1 1.0
O B:GLU697 5.0 44.3 1.0

Magnesium binding site 5 out of 6 in 1qha

Go back to Magnesium Binding Sites List in 1qha
Magnesium binding site 5 out of 6 in the Human Hexokinase Type I Complexed with Atp Analogue Amp-Pnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Human Hexokinase Type I Complexed with Atp Analogue Amp-Pnp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1920

b:28.8
occ:1.00
 O B:VAL248 2.6 38.3 1.0
O B:GLY250 2.6 38.4 1.0
O B:LEU242 2.7 39.2 1.0
O B:ILE245 2.8 35.4 1.0
O B:HOH2004 3.1 59.6 1.0
C B:ILE245 3.7 36.6 1.0
C B:LEU242 3.8 38.5 1.0
C B:GLY250 3.8 38.9 1.0
C B:VAL248 3.8 39.9 1.0
N B:GLY250 3.9 41.0 1.0
N B:ILE245 4.2 35.9 1.0
CA B:ARG243 4.2 39.5 1.0
CD1 B:LEU242 4.3 39.5 1.0
CA B:ILE245 4.5 36.2 1.0
N B:ARG243 4.5 38.2 1.0
N B:ASP246 4.5 36.3 1.0
CA B:ASP246 4.5 38.8 1.0
C B:ARG243 4.5 40.9 1.0
CA B:GLY250 4.6 39.8 1.0
N B:VAL248 4.6 38.9 1.0
O B:ASP246 4.7 39.9 1.0
C B:GLU249 4.7 42.4 1.0
C B:ASP246 4.7 40.1 1.0
CA B:VAL248 4.7 38.7 1.0
CB B:ILE245 4.7 34.3 1.0
CA B:GLU249 4.7 41.8 1.0
N B:GLU249 4.8 41.7 1.0
CA B:LEU242 4.8 38.4 1.0
N B:ASP251 4.9 38.9 1.0
O B:ARG243 4.9 41.2 1.0
CB B:VAL248 4.9 36.1 1.0
N B:HIS244 4.9 40.1 1.0
CB B:LEU242 5.0 41.8 1.0
CA B:ASP251 5.0 40.4 1.0

Magnesium binding site 6 out of 6 in 1qha

Go back to Magnesium Binding Sites List in 1qha
Magnesium binding site 6 out of 6 in the Human Hexokinase Type I Complexed with Atp Analogue Amp-Pnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Human Hexokinase Type I Complexed with Atp Analogue Amp-Pnp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1921

b:73.3
occ:1.00
 O3A B:ANP1999 2.4 71.2 1.0
O5' B:ANP1999 2.9 60.1 1.0
N3B B:ANP1999 3.2 82.5 1.0
PB B:ANP1999 3.3 80.5 1.0
PA B:ANP1999 3.3 64.9 1.0
O1B B:ANP1999 3.6 77.8 1.0
C5' B:ANP1999 3.6 51.0 1.0
C8 B:ANP1999 3.9 39.5 1.0
O3G B:ANP1999 4.1 86.3 1.0
O2A B:ANP1999 4.2 62.1 1.0
PG B:ANP1999 4.3 86.1 1.0
CE2 B:PHE380 4.4 39.9 1.0
N7 B:ANP1999 4.5 39.8 1.0
O1A B:ANP1999 4.5 63.9 1.0
O4' B:ANP1999 4.5 46.2 1.0
O2B B:ANP1999 4.7 78.3 1.0
C4' B:ANP1999 4.7 44.7 1.0
CZ B:PHE380 4.7 37.5 1.0
N9 B:ANP1999 4.9 41.3 1.0
O1G B:ANP1999 4.9 85.8 1.0

Reference:

C.Rosano, E.Sabini, M.Rizzi, D.Deriu, G.Murshudov, M.Bianchi, G.Serafini, M.Magnani, M.Bolognesi. Binding of Non-Catalytic Atp to Human Hexokinase I Highlights the Structural Components For Enzyme-Membrane Association Control. Structure Fold.Des. V. 7 1427 1999.
ISSN: ISSN 0969-2126
PubMed: 10574795
DOI: 10.1016/S0969-2126(00)80032-5
Page generated: Mon Dec 14 06:39:05 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy