Atomistry » Chlorine » PDB 5lzm-5m7q » 5m4f
Atomistry »
  Chlorine »
    PDB 5lzm-5m7q »
      5m4f »

Chlorine in PDB 5m4f: Complex Structure of Human Protein Kinase CK2 Catalytic Subunit with the Inhibitor 4'-Carboxy-6,8-Chloro-Flavonol (FLC21) Crystallized Under Low-Salt Conditions

Enzymatic activity of Complex Structure of Human Protein Kinase CK2 Catalytic Subunit with the Inhibitor 4'-Carboxy-6,8-Chloro-Flavonol (FLC21) Crystallized Under Low-Salt Conditions

All present enzymatic activity of Complex Structure of Human Protein Kinase CK2 Catalytic Subunit with the Inhibitor 4'-Carboxy-6,8-Chloro-Flavonol (FLC21) Crystallized Under Low-Salt Conditions:
2.7.11.1;

Protein crystallography data

The structure of Complex Structure of Human Protein Kinase CK2 Catalytic Subunit with the Inhibitor 4'-Carboxy-6,8-Chloro-Flavonol (FLC21) Crystallized Under Low-Salt Conditions, PDB code: 5m4f was solved by K.Niefind, N.Bischoff, S.M.Yarmoluk, V.G.Bdzhola, A.G.Golub, A.O.Balanda, A.O.Prykhod'ko, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.46 / 1.52
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 48.033, 79.569, 82.142, 90.00, 90.00, 90.00
R / Rfree (%) 16.3 / 18.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Complex Structure of Human Protein Kinase CK2 Catalytic Subunit with the Inhibitor 4'-Carboxy-6,8-Chloro-Flavonol (FLC21) Crystallized Under Low-Salt Conditions (pdb code 5m4f). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Complex Structure of Human Protein Kinase CK2 Catalytic Subunit with the Inhibitor 4'-Carboxy-6,8-Chloro-Flavonol (FLC21) Crystallized Under Low-Salt Conditions, PDB code: 5m4f:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5m4f

Go back to Chlorine Binding Sites List in 5m4f
Chlorine binding site 1 out of 4 in the Complex Structure of Human Protein Kinase CK2 Catalytic Subunit with the Inhibitor 4'-Carboxy-6,8-Chloro-Flavonol (FLC21) Crystallized Under Low-Salt Conditions


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Complex Structure of Human Protein Kinase CK2 Catalytic Subunit with the Inhibitor 4'-Carboxy-6,8-Chloro-Flavonol (FLC21) Crystallized Under Low-Salt Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:27.3
occ:1.00
 CL5 A:7FC401 0.0 27.3 1.0
C15 A:7FC401 1.7 18.8 1.0
C12 A:7FC401 2.7 15.3 1.0
C11 A:7FC401 2.7 20.1 1.0
O A:HOH527 3.4 32.9 1.0
O A:HOH605 3.5 34.8 1.0
O A:HOH551 3.7 43.2 1.0
N A:ASN118 3.7 12.4 1.0
O A:VAL116 3.9 14.8 1.0
CB A:ASN118 3.9 12.5 1.0
O A:HOH779 3.9 24.3 1.0
C17 A:7FC401 3.9 19.8 1.0
C22 A:7FC401 4.0 13.3 1.0
O A:ASN118 4.1 17.5 1.0
CA A:ASN118 4.3 14.0 1.0
NE2 A:HIS115 4.3 24.3 1.0
C23 A:7FC401 4.5 14.3 1.0
C A:ASN118 4.6 15.1 1.0
C A:ASN117 4.7 15.1 1.0
O A:HOH863 4.7 41.1 1.0
CE1 A:HIS115 4.8 22.8 1.0
CA A:ASN117 4.8 15.2 1.0
OD1 A:ASN117 5.0 31.0 1.0

Chlorine binding site 2 out of 4 in 5m4f

Go back to Chlorine Binding Sites List in 5m4f
Chlorine binding site 2 out of 4 in the Complex Structure of Human Protein Kinase CK2 Catalytic Subunit with the Inhibitor 4'-Carboxy-6,8-Chloro-Flavonol (FLC21) Crystallized Under Low-Salt Conditions


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Complex Structure of Human Protein Kinase CK2 Catalytic Subunit with the Inhibitor 4'-Carboxy-6,8-Chloro-Flavonol (FLC21) Crystallized Under Low-Salt Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:38.0
occ:1.00
 CL6 A:7FC401 0.0 38.0 1.0
C17 A:7FC401 1.7 19.8 1.0
C23 A:7FC401 2.6 14.3 1.0
C11 A:7FC401 2.7 20.1 1.0
O A:HOH675 2.7 40.4 1.0
O13 A:7FC401 2.8 13.6 1.0
O A:HOH790 3.0 42.0 1.0
CD A:ARG47 3.6 26.5 1.0
C22 A:7FC401 3.9 13.3 1.0
C15 A:7FC401 3.9 18.8 1.0
C20 A:7FC401 4.1 11.5 1.0
SD A:MET163 4.1 17.1 1.0
CD1 A:LEU45 4.2 23.0 1.0
NH1 A:ARG47 4.2 25.5 1.0
O A:HOH863 4.2 41.1 1.0
CG A:ARG47 4.3 24.7 1.0
C09 A:7FC401 4.4 12.8 1.0
C12 A:7FC401 4.4 15.3 1.0
CE A:MET163 4.5 16.0 1.0
CB A:LEU45 4.5 20.6 1.0
NE A:ARG47 4.5 24.7 1.0
CZ A:ARG47 4.7 26.3 1.0
C18 A:7FC401 4.8 11.3 1.0
O A:GLY46 4.8 36.4 1.0
CG A:LEU45 4.9 23.6 1.0
O A:HOH779 5.0 24.3 1.0

Chlorine binding site 3 out of 4 in 5m4f

Go back to Chlorine Binding Sites List in 5m4f
Chlorine binding site 3 out of 4 in the Complex Structure of Human Protein Kinase CK2 Catalytic Subunit with the Inhibitor 4'-Carboxy-6,8-Chloro-Flavonol (FLC21) Crystallized Under Low-Salt Conditions


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Complex Structure of Human Protein Kinase CK2 Catalytic Subunit with the Inhibitor 4'-Carboxy-6,8-Chloro-Flavonol (FLC21) Crystallized Under Low-Salt Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl405

b:25.6
occ:1.00
 O A:HOH749 2.4 45.7 1.0
N A:ASN189 3.1 10.3 1.0
NH1 A:ARG155 3.1 10.1 1.0
O A:HOH802 3.2 21.8 1.0
CB A:ASN189 3.4 13.1 1.0
CD1 A:TYR188 3.7 11.2 1.0
NH2 A:ARG155 3.8 9.8 1.0
O A:HOH762 3.8 32.0 1.0
CA A:ASN189 3.9 11.8 1.0
CZ A:ARG155 3.9 8.7 1.0
CA A:TYR188 4.0 8.6 1.0
CB A:TYR188 4.0 8.8 1.0
C A:TYR188 4.1 12.0 1.0
CG A:TYR188 4.3 8.8 1.0
O A:ASN189 4.5 11.4 1.0
OE2 A:GLU180 4.6 25.3 1.0
CG A:GLU180 4.7 19.3 1.0
CE1 A:TYR188 4.7 10.4 1.0
C A:ASN189 4.7 11.7 1.0
CG A:ASN189 4.8 18.7 1.0
OH A:TYR209 4.8 9.6 1.0
ND2 A:ASN189 4.9 27.8 1.0

Chlorine binding site 4 out of 4 in 5m4f

Go back to Chlorine Binding Sites List in 5m4f
Chlorine binding site 4 out of 4 in the Complex Structure of Human Protein Kinase CK2 Catalytic Subunit with the Inhibitor 4'-Carboxy-6,8-Chloro-Flavonol (FLC21) Crystallized Under Low-Salt Conditions


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Complex Structure of Human Protein Kinase CK2 Catalytic Subunit with the Inhibitor 4'-Carboxy-6,8-Chloro-Flavonol (FLC21) Crystallized Under Low-Salt Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl406

b:14.3
occ:1.00
 O A:HOH610 2.9 15.4 1.0
ND1 A:HIS148 3.0 8.6 1.0
O A:HOH832 3.1 12.6 1.0
N A:ALA315 3.2 8.4 1.0
CB A:THR314 3.7 11.0 1.0
CB A:ALA315 3.8 9.7 1.0
CG A:HIS148 3.9 8.7 1.0
CE1 A:HIS148 3.9 8.4 1.0
CA A:THR314 3.9 10.0 1.0
CB A:HIS148 4.0 8.9 1.0
CG2 A:VAL11 4.0 13.4 1.0
C A:THR314 4.1 9.9 1.0
CA A:ALA315 4.1 8.4 1.0
CE2 A:TYR12 4.4 12.7 1.0
CG2 A:THR314 4.5 11.5 1.0
CD2 A:TYR12 4.6 10.7 1.0
O A:HOH821 4.7 31.4 1.0
CB A:TYR211 4.7 6.6 1.0
OD2 A:ASP145 4.7 12.3 1.0
OG1 A:THR314 4.8 11.6 1.0
N A:ARG316 4.8 10.1 1.0
SD A:MET215 4.9 10.8 1.0

Reference:

K.Niefind, N.Bischoff, A.G.Golub, V.G.Bdzhola, A.O.Balanda, A.O.Prykhod'ko, S.M.Yarmoluk. Structural Hypervariability of the Two Human Protein Kinase CK2 Catalytic Subunit Paralogs Revealed By Complex Structures with A Flavonol- and A Thieno[2,3-D]Pyrimidine-Based Inhibitor. Pharmaceuticals V. 10 2017.
ISSN: ESSN 1424-8247
PubMed: 28085026
DOI: 10.3390/PH10010009
Page generated: Fri Jul 26 12:26:29 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy