Chlorine in PDB 8bi5: Crystal Structure of Human Choline Kinase A in Complex with UNC0737

Enzymatic activity of Crystal Structure of Human Choline Kinase A in Complex with UNC0737

All present enzymatic activity of Crystal Structure of Human Choline Kinase A in Complex with UNC0737:
2.7.1.32; 2.7.1.82;

Protein crystallography data

The structure of Crystal Structure of Human Choline Kinase A in Complex with UNC0737, PDB code: 8bi5 was solved by L.Diaz-Saez, J.Ward, E.Kennedy, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, K.Huber, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.53 / 2.50
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 131.49, 131.49, 168.797, 90, 90, 90
R / Rfree (%) 18.7 / 21.3

Other elements in 8bi5:

The structure of Crystal Structure of Human Choline Kinase A in Complex with UNC0737 also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Choline Kinase A in Complex with UNC0737 (pdb code 8bi5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Human Choline Kinase A in Complex with UNC0737, PDB code: 8bi5:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 8bi5

Go back to Chlorine Binding Sites List in 8bi5
Chlorine binding site 1 out of 5 in the Crystal Structure of Human Choline Kinase A in Complex with UNC0737


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 Human Choline Kinase A in Complex with UNC0737 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl506

b:101.2
occ:1.00
 NZ A:LYS452 3.8 85.3 1.0
CB A:ASN288 3.9 73.2 1.0
C A:ASN288 4.1 68.2 1.0
O A:ASN288 4.2 64.7 1.0
O A:VAL457 4.2 92.0 1.0
CE A:LYS452 4.2 78.6 1.0
OE1 A:GLU285 4.3 82.2 1.0
CD2 A:LEU292 4.3 61.2 1.0
N A:LEU289 4.3 63.2 1.0
OH A:TYR448 4.3 60.6 1.0
CD A:LYS452 4.5 74.7 1.0
CG2 A:VAL457 4.5 75.2 1.0
CA A:LEU289 4.6 58.8 1.0
CA A:ASN288 4.7 65.7 1.0
CB A:LEU292 4.7 55.8 1.0
CG A:LYS452 4.7 69.2 1.0
CG A:ASN288 5.0 79.1 1.0
C A:VAL457 5.0 86.7 1.0
CB A:VAL457 5.0 76.2 1.0

Chlorine binding site 2 out of 5 in 8bi5

Go back to Chlorine Binding Sites List in 8bi5
Chlorine binding site 2 out of 5 in the Crystal Structure of Human Choline Kinase A in Complex with UNC0737


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 Human Choline Kinase A in Complex with UNC0737 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl507

b:88.5
occ:1.00
 O A:HOH616 3.4 55.0 1.0
O A:SER334 3.6 50.4 1.0
CB A:LEU179 4.0 50.5 1.0
CE2 A:PHE242 4.3 54.1 1.0
C A:LEU179 4.4 47.8 1.0
O A:PHE331 4.5 53.9 1.0
C A:SER334 4.5 47.3 1.0
N A:GLU180 4.5 48.1 1.0
O A:LEU179 4.5 46.8 1.0
SD A:MET183 4.5 63.5 1.0
CZ A:PHE242 4.6 55.2 1.0
O A:HOH759 4.6 57.1 1.0
CD2 A:PHE242 4.7 51.5 1.0
CB A:SER334 4.7 53.4 1.0
CD1 A:LEU179 4.8 55.5 1.0
CA A:GLU180 4.8 50.6 1.0
CA A:LEU179 4.8 48.8 1.0
CB A:MET183 4.9 47.5 1.0
CG A:MET183 4.9 54.9 1.0

Chlorine binding site 3 out of 5 in 8bi5

Go back to Chlorine Binding Sites List in 8bi5
Chlorine binding site 3 out of 5 in the Crystal Structure of Human Choline Kinase A in Complex with UNC0737


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 Human Choline Kinase A in Complex with UNC0737 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl511

b:75.9
occ:1.00
 NH1 B:ARG270 3.1 64.8 1.0
N B:THR266 3.3 60.9 1.0
NE B:ARG270 3.5 64.9 1.0
OG1 B:THR266 3.6 62.0 1.0
CD1 B:PHE265 3.7 47.7 1.0
N B:GLU267 3.8 64.6 1.0
CZ B:ARG270 3.8 64.6 1.0
CA B:PHE265 3.8 53.1 1.0
CB B:PHE265 3.9 48.7 1.0
C B:PHE265 4.1 55.1 1.0
CB B:GLU267 4.1 76.0 1.0
CG B:PHE265 4.3 48.8 1.0
CA B:THR266 4.3 64.1 1.0
CB B:THR266 4.5 65.3 1.0
C B:THR266 4.5 64.1 1.0
CA B:GLU267 4.6 68.5 1.0
CE1 B:PHE265 4.8 48.3 1.0
CD B:ARG270 4.8 60.3 1.0
CG2 B:THR266 5.0 66.0 1.0

Chlorine binding site 4 out of 5 in 8bi5

Go back to Chlorine Binding Sites List in 8bi5
Chlorine binding site 4 out of 5 in the Crystal Structure of Human Choline Kinase A in Complex with UNC0737


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 Human Choline Kinase A in Complex with UNC0737 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl512

b:82.2
occ:1.00
 O B:HOH728 3.4 64.4 1.0
NH2 B:ARG453 3.9 62.3 1.0
CD B:ARG453 4.4 67.0 1.0

Chlorine binding site 5 out of 5 in 8bi5

Go back to Chlorine Binding Sites List in 8bi5
Chlorine binding site 5 out of 5 in the Crystal Structure of Human Choline Kinase A in Complex with UNC0737


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Human Choline Kinase A in Complex with UNC0737 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl513

b:87.8
occ:1.00
 O B:SER334 3.4 37.5 1.0
O B:HOH628 3.5 57.1 1.0
CB B:LEU179 4.0 52.4 1.0
CE2 B:PHE242 4.0 39.9 1.0
CZ B:PHE242 4.1 41.0 1.0
C B:LEU179 4.2 48.3 1.0
O B:LEU179 4.2 49.1 1.0
CD2 B:PHE242 4.4 39.8 1.0
N B:GLU180 4.4 49.7 1.0
SD B:MET183 4.4 75.2 1.0
C B:SER334 4.4 41.8 1.0
CB B:MET183 4.4 50.4 1.0
CG B:MET183 4.6 56.1 1.0
CE1 B:PHE242 4.6 40.5 1.0
CA B:LEU179 4.6 48.7 1.0
CA B:GLU180 4.6 51.1 0.5
CA B:GLU180 4.7 51.0 0.5
CG B:PHE242 4.8 37.7 1.0
O B:HOH762 4.9 56.7 1.0
O B:PHE331 4.9 51.8 1.0
CD1 B:LEU179 4.9 52.2 1.0
CD1 B:PHE242 4.9 39.3 1.0
CB B:SER334 4.9 43.4 1.0

Reference:

L.Diaz-Saez, E.Kennedy, F.Von Delf, S.Knapp, C.H.Arrowsmith, A.M.Edwards, C.Bountra, K.Huber. Crystal Structure of Human Choline Kinase A in Complex with UNC0737 To Be Published.
Page generated: Tue Jul 30 07:13:58 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy