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Calcium in PDB 1hkb: Crystal Structure of Recombinant Human Brain Hexokinase Type I Complexed with Glucose and Glucose-6-Phosphate

Enzymatic activity of Crystal Structure of Recombinant Human Brain Hexokinase Type I Complexed with Glucose and Glucose-6-Phosphate

All present enzymatic activity of Crystal Structure of Recombinant Human Brain Hexokinase Type I Complexed with Glucose and Glucose-6-Phosphate:
2.7.1.1;

Protein crystallography data

The structure of Crystal Structure of Recombinant Human Brain Hexokinase Type I Complexed with Glucose and Glucose-6-Phosphate, PDB code: 1hkb was solved by A.E.Aleshin, C.Zeng, G.P.Burenkov, H.D.Bartunik, H.J.Fromm, R.B.Honzatko, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 83.000, 122.000, 123.000, 90.00, 92.00, 90.00
R / Rfree (%) 20 / 27

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Recombinant Human Brain Hexokinase Type I Complexed with Glucose and Glucose-6-Phosphate (pdb code 1hkb). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of Recombinant Human Brain Hexokinase Type I Complexed with Glucose and Glucose-6-Phosphate, PDB code: 1hkb:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 1hkb

Go back to Calcium Binding Sites List in 1hkb
Calcium binding site 1 out of 4 in the Crystal Structure of Recombinant Human Brain Hexokinase Type I Complexed with Glucose and Glucose-6-Phosphate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Recombinant Human Brain Hexokinase Type I Complexed with Glucose and Glucose-6-Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca922

b:60.0
occ:1.00
 O A:VAL248 2.5 37.6 1.0
O A:ILE245 2.7 45.1 1.0
O A:GLY250 2.7 63.3 1.0
O A:LEU242 2.9 47.5 1.0
C A:ILE245 3.6 39.7 1.0
C A:VAL248 3.7 38.5 1.0
N A:GLY250 3.8 49.8 1.0
C A:GLY250 3.8 56.0 1.0
C A:LEU242 4.1 44.6 1.0
N A:ASP246 4.3 39.3 1.0
CA A:ASP246 4.3 33.8 1.0
O A:ASP246 4.4 39.5 1.0
C A:GLU249 4.4 46.7 1.0
CA A:GLY250 4.4 52.9 1.0
N A:ILE245 4.4 30.9 1.0
CA A:GLU249 4.4 43.9 1.0
CA A:ILE245 4.5 35.3 1.0
CA A:ARG243 4.5 53.9 1.0
N A:GLU249 4.5 40.5 1.0
C A:ASP246 4.5 35.1 1.0
N A:VAL248 4.5 37.3 1.0
CD1 A:LEU242 4.5 40.9 1.0
CA A:VAL248 4.6 34.5 1.0
C A:ARG243 4.6 53.7 1.0
CB A:ILE245 4.7 32.2 1.0
N A:ARG243 4.8 48.6 1.0
O A:ARG243 4.9 55.0 1.0
N A:ASP251 4.9 52.0 1.0
CB A:VAL248 4.9 31.3 1.0
N A:HIS244 5.0 47.2 1.0

Calcium binding site 2 out of 4 in 1hkb

Go back to Calcium Binding Sites List in 1hkb
Calcium binding site 2 out of 4 in the Crystal Structure of Recombinant Human Brain Hexokinase Type I Complexed with Glucose and Glucose-6-Phosphate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Recombinant Human Brain Hexokinase Type I Complexed with Glucose and Glucose-6-Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca923

b:70.3
occ:1.00
 O A:VAL696 2.5 60.4 1.0
O A:GLY698 2.5 63.4 1.0
O A:MET690 2.6 31.8 1.0
O A:VAL693 2.7 42.0 1.0
C A:VAL693 3.3 36.5 1.0
C A:VAL696 3.6 58.1 1.0
C A:GLY698 3.7 59.7 1.0
C A:MET690 3.8 31.0 1.0
N A:GLU694 3.9 33.8 1.0
N A:GLY698 4.0 55.0 1.0
CA A:VAL693 4.1 33.5 1.0
CA A:GLU694 4.1 29.9 1.0
N A:VAL693 4.2 30.3 1.0
CB A:VAL693 4.2 34.8 1.0
C A:GLU697 4.3 55.8 1.0
N A:VAL696 4.4 46.8 1.0
CA A:GLY698 4.4 57.8 1.0
SD A:MET690 4.4 31.1 1.0
N A:GLU697 4.5 62.9 1.0
C A:GLU694 4.5 32.9 1.0
CA A:VAL696 4.5 50.1 1.0
CA A:GLU697 4.6 61.1 1.0
C A:LYS691 4.6 39.6 1.0
CA A:LYS691 4.6 37.8 1.0
CE A:MET690 4.7 28.8 1.0
N A:LYS691 4.7 30.1 1.0
O A:LYS691 4.7 44.0 1.0
N A:ASP699 4.7 59.8 1.0
CA A:MET690 4.8 26.8 1.0
CG1 A:VAL693 4.9 33.5 1.0
CA A:ASP699 4.9 61.2 1.0
N A:MET695 4.9 39.1 1.0
O A:GLU697 5.0 52.7 1.0
CB A:VAL696 5.0 47.9 1.0

Calcium binding site 3 out of 4 in 1hkb

Go back to Calcium Binding Sites List in 1hkb
Calcium binding site 3 out of 4 in the Crystal Structure of Recombinant Human Brain Hexokinase Type I Complexed with Glucose and Glucose-6-Phosphate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Recombinant Human Brain Hexokinase Type I Complexed with Glucose and Glucose-6-Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca922

b:70.4
occ:1.00
 O B:GLY250 2.7 36.8 1.0
O B:ILE245 2.8 31.8 1.0
O B:VAL248 2.9 30.6 1.0
O B:LEU242 3.0 37.5 1.0
C B:ILE245 3.7 21.7 1.0
C B:GLY250 3.9 35.7 1.0
N B:GLY250 4.0 33.5 1.0
C B:VAL248 4.0 29.0 1.0
C B:LEU242 4.1 30.4 1.0
CA B:ARG243 4.3 38.4 1.0
CA B:ASP246 4.3 28.6 1.0
N B:ASP246 4.3 21.8 1.0
C B:ARG243 4.4 37.5 1.0
O B:ARG243 4.5 47.0 1.0
N B:ILE245 4.5 20.5 1.0
O B:ASP246 4.5 32.3 1.0
CA B:GLY250 4.5 34.0 1.0
CA B:ILE245 4.6 15.8 1.0
C B:GLU249 4.6 32.9 1.0
C B:ASP246 4.6 27.9 1.0
CA B:GLU249 4.6 30.2 1.0
N B:ARG243 4.7 33.6 1.0
N B:GLU249 4.8 31.5 1.0
N B:VAL248 4.8 33.0 1.0
N B:HIS244 4.9 33.7 1.0
CD1 B:LEU242 4.9 24.7 1.0
N B:ASP251 4.9 34.6 1.0
CB B:ILE245 4.9 17.2 1.0
CA B:VAL248 5.0 26.6 1.0

Calcium binding site 4 out of 4 in 1hkb

Go back to Calcium Binding Sites List in 1hkb
Calcium binding site 4 out of 4 in the Crystal Structure of Recombinant Human Brain Hexokinase Type I Complexed with Glucose and Glucose-6-Phosphate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Recombinant Human Brain Hexokinase Type I Complexed with Glucose and Glucose-6-Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca923

b:91.6
occ:1.00
 O B:GLY698 2.7 66.8 1.0
O B:VAL693 2.7 30.1 1.0
O B:VAL696 2.7 52.9 1.0
O B:MET690 2.8 45.4 1.0
C B:VAL693 3.2 26.2 1.0
N B:GLU694 3.7 21.4 1.0
C B:VAL696 3.8 51.0 1.0
CA B:GLU694 3.8 23.6 1.0
C B:GLY698 3.9 63.8 1.0
C B:MET690 4.0 41.3 1.0
N B:GLY698 4.1 59.9 1.0
CA B:VAL693 4.1 22.5 1.0
N B:VAL693 4.2 28.4 1.0
C B:GLU694 4.3 22.8 1.0
CB B:VAL693 4.4 22.9 1.0
N B:VAL696 4.4 38.6 1.0
C B:LYS691 4.5 35.6 1.0
C B:GLU697 4.5 62.3 1.0
CA B:LYS691 4.5 38.3 1.0
CA B:GLY698 4.6 63.0 1.0
O B:LYS691 4.6 35.0 1.0
N B:GLU697 4.6 60.3 1.0
CA B:VAL696 4.7 43.7 1.0
CA B:GLU697 4.7 65.3 1.0
N B:MET695 4.8 27.1 1.0
N B:LYS691 4.8 39.5 1.0
O B:GLU694 4.8 26.2 1.0
SD B:MET690 4.9 45.5 1.0
N B:ASP699 4.9 61.3 1.0
C B:ASN692 4.9 35.0 1.0
N B:ASN692 5.0 35.9 1.0
CG1 B:VAL693 5.0 20.5 1.0

Reference:

A.E.Aleshin, C.Zeng, G.P.Bourenkov, H.D.Bartunik, H.J.Fromm, R.B.Honzatko. The Mechanism of Regulation of Hexokinase: New Insights From the Crystal Structure of Recombinant Human Brain Hexokinase Complexed with Glucose and Glucose-6-Phosphate. Structure V. 6 39 1998.
ISSN: ISSN 0969-2126
PubMed: 9493266
DOI: 10.1016/S0969-2126(98)00006-9
Page generated: Thu Jul 11 10:03:57 2024

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