Atomistry » Chlorine » PDB 2qu6-2r74 » 2r3f
Atomistry »
  Chlorine »
    PDB 2qu6-2r74 »
      2r3f »

Chlorine in PDB 2r3f: Crystal Structure of Cyclin-Dependent Kinase 2 with Inhibitor

Enzymatic activity of Crystal Structure of Cyclin-Dependent Kinase 2 with Inhibitor

All present enzymatic activity of Crystal Structure of Cyclin-Dependent Kinase 2 with Inhibitor:
2.7.11.22;

Protein crystallography data

The structure of Crystal Structure of Cyclin-Dependent Kinase 2 with Inhibitor, PDB code: 2r3f was solved by T.O.Fischmann, A.W.Hruza, V.M.Madison, J.S.Duca, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.00 / 1.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 53.160, 71.450, 72.160, 90.00, 90.00, 90.00
R / Rfree (%) 20.4 / 23.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Cyclin-Dependent Kinase 2 with Inhibitor (pdb code 2r3f). 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 Cyclin-Dependent Kinase 2 with Inhibitor, PDB code: 2r3f:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 2r3f

Go back to Chlorine Binding Sites List in 2r3f
Chlorine binding site 1 out of 4 in the Crystal Structure of Cyclin-Dependent Kinase 2 with Inhibitor


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 Cyclin-Dependent Kinase 2 with Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:26.2
occ:0.70
 CL24 A:SC8501 0.0 26.2 0.7
C19 A:SC8501 1.4 53.2 0.3
C23 A:SC8501 1.7 22.4 0.7
C20 A:SC8501 2.2 76.7 0.3
C11 A:SC8501 2.5 16.7 0.3
C22 A:SC8501 2.7 19.9 0.7
C11 A:SC8501 2.7 19.3 0.7
CL25 A:SC8501 3.1 26.0 0.7
C07 A:SC8501 3.1 20.4 1.0
C08 A:SC8501 3.2 21.1 1.0
C21 A:SC8501 3.5 18.1 0.3
C23 A:SC8501 3.7 22.7 0.3
O A:ILE10 3.8 32.4 1.0
CG1 A:ILE10 3.8 28.3 1.0
CB A:VAL18 3.8 21.8 1.0
CA A:GLY11 3.8 26.1 1.0
CG1 A:VAL18 3.8 22.3 1.0
C A:ILE10 3.9 30.5 1.0
O A:HOH1214 3.9 48.0 1.0
N A:GLY11 3.9 26.5 1.0
C21 A:SC8501 4.0 22.2 0.7
C19 A:SC8501 4.0 24.6 0.7
O A:HOH1137 4.0 24.3 1.0
CD1 A:ILE10 4.1 29.4 1.0
CG2 A:VAL18 4.1 20.7 1.0
N06 A:SC8501 4.1 22.3 1.0
C22 A:SC8501 4.1 22.6 0.3
C09 A:SC8501 4.4 24.3 1.0
CB A:ILE10 4.4 28.9 1.0
C20 A:SC8501 4.5 24.0 0.7
C14 A:SC8501 4.5 29.1 1.0
C A:GLY11 4.6 28.0 1.0
O A:HOH1210 4.7 46.3 1.0
CA A:ILE10 4.8 26.8 1.0
C15 A:SC8501 4.9 29.8 1.0
C02 A:SC8501 5.0 21.7 1.0

Chlorine binding site 2 out of 4 in 2r3f

Go back to Chlorine Binding Sites List in 2r3f
Chlorine binding site 2 out of 4 in the Crystal Structure of Cyclin-Dependent Kinase 2 with Inhibitor


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 Cyclin-Dependent Kinase 2 with Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:27.2
occ:0.30
 CL24 A:SC8501 0.0 27.2 0.3
C19 A:SC8501 1.4 24.6 0.7
C23 A:SC8501 1.7 22.7 0.3
C20 A:SC8501 2.2 24.0 0.7
C11 A:SC8501 2.5 19.3 0.7
C11 A:SC8501 2.7 16.7 0.3
C22 A:SC8501 2.7 22.6 0.3
N06 A:SC8501 3.0 22.3 1.0
C07 A:SC8501 3.0 20.4 1.0
CL25 A:SC8501 3.1 33.4 0.3
NZ A:LYS33 3.3 21.4 1.0
CB A:ASN132 3.4 19.6 1.0
CB A:ALA144 3.4 17.3 1.0
C21 A:SC8501 3.6 22.2 0.7
CA A:ASN132 3.6 18.7 1.0
O A:GLN131 3.7 22.4 1.0
C23 A:SC8501 3.8 22.4 0.7
OD2 A:ASP145 3.9 24.8 1.0
C19 A:SC8501 4.0 53.2 0.3
C21 A:SC8501 4.0 18.1 0.3
C02 A:SC8501 4.1 21.7 1.0
C08 A:SC8501 4.1 21.1 1.0
C22 A:SC8501 4.1 19.9 0.7
CG A:ASP145 4.2 20.6 1.0
OD1 A:ASP145 4.3 19.8 1.0
C A:GLN131 4.4 21.9 1.0
O A:HOH1217 4.4 25.0 1.0
N A:ASN132 4.5 18.0 1.0
C20 A:SC8501 4.5 76.7 0.3
CD2 A:LEU134 4.5 19.0 1.0
C A:ASN132 4.6 19.1 1.0
CE A:LYS33 4.6 22.2 1.0
CD1 A:LEU134 4.7 22.5 1.0
O A:HOH1137 4.7 24.3 1.0
O A:HOH1208 4.8 23.9 1.0
O A:ASN132 4.8 19.8 1.0
CA A:ALA144 4.8 16.0 1.0
CG A:LEU134 4.8 20.3 1.0
O A:HOH1050 4.8 21.6 1.0
CG A:ASN132 4.9 19.4 1.0
C A:ALA144 4.9 18.5 1.0
C01 A:SC8501 5.0 23.7 1.0
N03 A:SC8501 5.0 20.7 1.0
C09 A:SC8501 5.0 24.3 1.0

Chlorine binding site 3 out of 4 in 2r3f

Go back to Chlorine Binding Sites List in 2r3f
Chlorine binding site 3 out of 4 in the Crystal Structure of Cyclin-Dependent Kinase 2 with Inhibitor


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 Cyclin-Dependent Kinase 2 with Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:26.0
occ:0.70
 CL25 A:SC8501 0.0 26.0 0.7
C20 A:SC8501 1.5 76.7 0.3
C22 A:SC8501 1.7 19.9 0.7
C21 A:SC8501 2.1 18.1 0.3
C21 A:SC8501 2.7 22.2 0.7
C23 A:SC8501 2.7 22.4 0.7
C19 A:SC8501 2.8 53.2 0.3
CL24 A:SC8501 3.1 26.2 0.7
O A:HOH1214 3.2 48.0 1.0
OE1 A:GLN131 3.2 39.9 1.0
C22 A:SC8501 3.4 22.6 0.3
N A:GLU12 3.4 25.6 1.0
O A:HOH1209 3.5 36.2 1.0
CA A:GLY11 3.6 26.1 1.0
C A:GLU12 3.6 27.2 1.0
O A:GLU12 3.7 28.3 1.0
C A:GLY11 3.7 28.0 1.0
N A:GLY13 3.8 22.4 1.0
C11 A:SC8501 3.9 16.7 0.3
C20 A:SC8501 4.0 24.0 0.7
CA A:GLY13 4.0 22.3 1.0
C11 A:SC8501 4.0 19.3 0.7
CD A:GLN131 4.1 46.3 1.0
O A:HOH1223 4.1 39.2 1.0
C23 A:SC8501 4.2 22.7 0.3
CA A:GLU12 4.2 24.4 1.0
O A:HOH1224 4.3 46.5 1.0
C19 A:SC8501 4.5 24.6 0.7
CG2 A:VAL18 4.6 20.7 1.0
CG A:GLN131 4.6 37.2 1.0
CL25 A:SC8501 4.6 33.4 0.3
O A:GLY11 4.6 25.9 1.0
N A:GLY11 4.7 26.5 1.0
O A:HOH1205 4.8 29.7 1.0
O A:HOH1137 4.8 24.3 1.0
O A:ILE10 4.9 32.4 1.0

Chlorine binding site 4 out of 4 in 2r3f

Go back to Chlorine Binding Sites List in 2r3f
Chlorine binding site 4 out of 4 in the Crystal Structure of Cyclin-Dependent Kinase 2 with Inhibitor


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 Cyclin-Dependent Kinase 2 with Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:33.4
occ:0.30
 CL25 A:SC8501 0.0 33.4 0.3
C20 A:SC8501 1.5 24.0 0.7
C22 A:SC8501 1.7 22.6 0.3
C21 A:SC8501 2.0 22.2 0.7
O A:HOH1205 2.5 29.7 1.0
C21 A:SC8501 2.7 18.1 0.3
C23 A:SC8501 2.7 22.7 0.3
C19 A:SC8501 2.7 24.6 0.7
O A:HOH1208 2.9 23.9 1.0
CL24 A:SC8501 3.1 27.2 0.3
C22 A:SC8501 3.4 19.9 0.7
O A:HOH1224 3.6 46.5 1.0
CB A:ASN132 3.7 19.6 1.0
O A:HOH1217 3.9 25.0 1.0
C11 A:SC8501 3.9 19.3 0.7
CG A:GLN131 3.9 37.2 1.0
OD2 A:ASP145 3.9 24.8 1.0
C20 A:SC8501 3.9 76.7 0.3
C11 A:SC8501 4.0 16.7 0.3
O A:GLN131 4.0 22.4 1.0
CD A:GLN131 4.1 46.3 1.0
C23 A:SC8501 4.1 22.4 0.7
C A:GLN131 4.2 21.9 1.0
ND2 A:ASN132 4.2 18.3 1.0
NE2 A:GLN131 4.3 35.1 1.0
CA A:ASN132 4.3 18.7 1.0
N A:ASN132 4.3 18.0 1.0
CB A:GLN131 4.3 22.4 1.0
CG A:ASN132 4.4 19.4 1.0
CE A:LYS129 4.5 24.8 1.0
C19 A:SC8501 4.5 53.2 0.3
OE1 A:GLN131 4.6 39.9 1.0
CL25 A:SC8501 4.6 26.0 0.7
CG A:ASP145 4.9 20.6 1.0
CA A:GLN131 4.9 19.8 1.0
NZ A:LYS33 5.0 21.4 1.0

Reference:

T.O.Fischmann, A.Hruza, J.S.Duca, L.Ramanathan, T.Mayhood, W.T.Windsor, H.V.Le, T.J.Guzi, M.P.Dwyer, K.Paruch, R.J.Doll, E.Lees, D.Parry, W.Seghezzi, V.Madison. Structure-Guided Discovery of Cyclin-Dependent Kinase Inhibitors. Biopolymers V. 89 372 2008.
ISSN: ISSN 0006-3525
PubMed: 17937404
DOI: 10.1002/BIP.20868
Page generated: Fri Jul 11 00:21:20 2025

Last articles

Fe in 2FRV
Fe in 2G6N
Fe in 2G6M
Fe in 2G6L
Fe in 2G6K
Fe in 2FYN
Fe in 2G6J
Fe in 2G6I
Fe in 2G6H
Fe in 2G5G
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy