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Chlorine in PDB 3o8m: Crystal Structure of Monomeric KLHXK1 in Crystal Form XI with Glucose Bound (Closed State)

Enzymatic activity of Crystal Structure of Monomeric KLHXK1 in Crystal Form XI with Glucose Bound (Closed State)

All present enzymatic activity of Crystal Structure of Monomeric KLHXK1 in Crystal Form XI with Glucose Bound (Closed State):
2.7.1.1;

Protein crystallography data

The structure of Crystal Structure of Monomeric KLHXK1 in Crystal Form XI with Glucose Bound (Closed State), PDB code: 3o8m was solved by E.B.Kuettner, K.Kettner, A.Keim, T.M.Kriegel, N.Strater, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.70 / 1.42
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 64.575, 75.599, 103.857, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 21.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Monomeric KLHXK1 in Crystal Form XI with Glucose Bound (Closed State) (pdb code 3o8m). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Monomeric KLHXK1 in Crystal Form XI with Glucose Bound (Closed State), PDB code: 3o8m:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3o8m

Go back to Chlorine Binding Sites List in 3o8m
Chlorine binding site 1 out of 4 in the Crystal Structure of Monomeric KLHXK1 in Crystal Form XI with Glucose Bound (Closed State)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Monomeric KLHXK1 in Crystal Form XI with Glucose Bound (Closed State) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl488

b:15.5
occ:1.00
 NZ A:LYS226 3.2 15.4 1.0
N A:LYS409 3.2 15.9 1.0
OG1 A:THR410 3.3 17.1 1.0
N A:THR410 3.4 14.0 1.0
O A:THR410 3.6 16.1 1.0
O A:HOH574 3.7 17.6 1.0
CA A:TYR408 3.8 14.9 1.0
C A:TYR408 4.0 14.0 1.0
CA A:LYS409 4.0 15.2 1.0
O A:HOH680 4.1 7.2 1.0
C A:LYS409 4.2 15.1 1.0
CB A:LYS409 4.2 17.5 1.0
CA A:THR410 4.2 14.8 1.0
CB A:THR410 4.2 16.6 1.0
O A:GLY407 4.3 20.6 1.0
O A:HOH917 4.3 11.1 1.0
C A:THR410 4.4 15.9 1.0
CG2 A:THR410 4.5 17.4 1.0
CB A:TYR408 4.6 13.9 1.0
CE A:LYS226 4.7 16.7 1.0
N A:TYR408 4.9 16.0 1.0
CG A:LYS409 4.9 18.8 1.0

Chlorine binding site 2 out of 4 in 3o8m

Go back to Chlorine Binding Sites List in 3o8m
Chlorine binding site 2 out of 4 in the Crystal Structure of Monomeric KLHXK1 in Crystal Form XI with Glucose Bound (Closed State)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Monomeric KLHXK1 in Crystal Form XI with Glucose Bound (Closed State) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl489

b:17.3
occ:0.50
 O A:HOH608 3.1 11.4 1.0
O A:HOH963 3.1 14.1 1.0
O A:HOH860 3.1 14.2 1.0
ND2 A:ASN22 3.4 34.5 1.0
CG A:LEU23 3.7 29.6 1.0
CB A:ASN22 3.7 31.3 1.0
CB A:PRO20 3.9 31.6 1.0
CD1 A:LEU23 4.0 32.0 1.0
CG A:PRO20 4.0 32.9 1.0
CG A:ASN22 4.1 39.2 1.0
N A:LEU23 4.3 27.7 1.0
CB A:LEU23 4.6 28.6 1.0
O A:HOH1059 4.7 13.2 1.0
CD2 A:LEU23 4.7 28.2 1.0
O A:HOH609 4.8 12.5 1.0
C A:ASN22 4.8 29.3 1.0
O A:HOH1024 4.8 4.4 1.0
CA A:ASN22 4.8 30.5 1.0
CD A:PRO20 4.9 31.5 1.0

Chlorine binding site 3 out of 4 in 3o8m

Go back to Chlorine Binding Sites List in 3o8m
Chlorine binding site 3 out of 4 in the Crystal Structure of Monomeric KLHXK1 in Crystal Form XI with Glucose Bound (Closed State)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Monomeric KLHXK1 in Crystal Form XI with Glucose Bound (Closed State) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl490

b:15.7
occ:0.75
 O A:HOH546 3.1 21.2 1.0
O A:HOH771 3.1 8.9 1.0
O A:HOH714 3.2 9.7 1.0
O A:HOH1000 3.2 9.3 1.0
O A:HOH834 3.2 18.3 1.0
NZ A:LYS248 3.3 14.4 1.0
CE A:LYS248 3.7 14.8 1.0
CD A:PRO67 4.0 17.0 1.0
O A:HOH729 4.0 9.8 1.0
CD A:LYS248 4.3 15.8 1.0
O A:PRO64 4.3 13.2 1.0
O A:MET65 4.4 13.8 1.0
CA A:ILE66 4.5 13.2 1.0
O A:HOH552 4.7 25.4 1.0
O A:HOH1003 4.8 13.1 1.0
O A:HOH780 4.8 13.4 1.0
O A:HOH847 4.8 18.3 1.0
O A:HOH866 4.9 15.4 1.0
O A:HOH807 4.9 14.3 1.0
CG1 A:ILE66 4.9 13.1 1.0
CG2 A:ILE66 5.0 12.8 1.0

Chlorine binding site 4 out of 4 in 3o8m

Go back to Chlorine Binding Sites List in 3o8m
Chlorine binding site 4 out of 4 in the Crystal Structure of Monomeric KLHXK1 in Crystal Form XI with Glucose Bound (Closed State)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Monomeric KLHXK1 in Crystal Form XI with Glucose Bound (Closed State) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl491

b:19.2
occ:0.75
 O A:HOH915 2.8 18.1 1.0
O A:HOH849 2.9 17.9 1.0
N A:LYS283 3.1 15.9 1.0
CA A:THR282 3.6 15.0 1.0
CD1 A:LEU33 3.7 29.9 1.0
CB A:THR282 3.8 13.7 1.0
CG A:LYS283 3.8 18.2 1.0
CB A:LYS283 3.9 19.1 1.0
C A:THR282 3.9 17.1 1.0
CA A:LYS283 4.1 15.6 1.0
CD2 A:LEU33 4.1 26.3 1.0
CD A:LYS283 4.3 21.5 1.0
CG A:LEU33 4.4 22.0 1.0
CG2 A:THR282 4.6 15.7 1.0
O A:HOH895 4.8 22.7 1.0
OG1 A:THR282 4.9 13.5 1.0
CE A:LYS283 4.9 22.7 1.0
O A:HOH1066 5.0 26.7 1.0

Reference:

E.B.Kuettner, K.Kettner, A.Keim, D.I.Svergun, D.Volke, D.Singer, R.Hoffmann, E.C.Muller, A.Otto, T.M.Kriegel, N.Strater. Crystal Structure of Hexokinase KLHXK1 of Kluyveromyces Lactis: A Molecular Basis For Understanding the Control of Yeast Hexokinase Functions Via Covalent Modification and Oligomerization. J.Biol.Chem. V. 285 41019 2010.
ISSN: ISSN 0021-9258
PubMed: 20943665
DOI: 10.1074/JBC.M110.185850
Page generated: Sun Jul 21 01:27:24 2024

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