Atomistry » Chlorine » PDB 4kn0-4kwt » 4knb
Atomistry »
  Chlorine »
    PDB 4kn0-4kwt »
      4knb »

Chlorine in PDB 4knb: C-Met in Complex with Osi Ligand

Enzymatic activity of C-Met in Complex with Osi Ligand

All present enzymatic activity of C-Met in Complex with Osi Ligand:
2.7.10.1;

Protein crystallography data

The structure of C-Met in Complex with Osi Ligand, PDB code: 4knb was solved by J.Wang, A.G.Steinig, A.H.Li, X.Chen, H.Dong, C.Ferraro, M.Jin, M.Kadalbajoo, A.Kleinberg, K.M.Stolz, P.A.Tavares-Greco, T.Wang, M.R.Albertella, Y.Peng, L.Crew, J.Kahler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.95 / 2.40
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 44.713, 85.922, 156.469, 90.00, 91.47, 90.00
R / Rfree (%) 24 / 28.8

Other elements in 4knb:

The structure of C-Met in Complex with Osi Ligand also contains other interesting chemical elements:

Fluorine (F) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the C-Met in Complex with Osi Ligand (pdb code 4knb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the C-Met in Complex with Osi Ligand, PDB code: 4knb:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 4knb

Go back to Chlorine Binding Sites List in 4knb
Chlorine binding site 1 out of 8 in the C-Met in Complex with Osi Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of C-Met in Complex with Osi Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1401

b:67.6
occ:1.00
 CL2 A:1RU1401 0.0 67.6 1.0
C2 A:1RU1401 1.7 68.4 1.0
C4 A:1RU1401 2.7 68.0 1.0
C1 A:1RU1401 2.7 69.4 1.0
C7 A:1RU1401 3.1 68.3 1.0
O19 A:1RU1401 3.1 67.5 1.0
CD1 A:TYR1230 3.5 84.2 1.0
C20 A:1RU1401 3.6 70.1 1.0
CE1 A:TYR1230 3.7 85.6 1.0
CA A:GLY1085 3.7 94.9 1.0
CG A:TYR1230 3.8 83.0 1.0
C8 A:1RU1401 3.9 65.7 1.0
C6 A:1RU1401 4.0 70.1 1.0
CG2 A:VAL1092 4.0 75.5 1.0
C3 A:1RU1401 4.0 68.4 1.0
CZ A:TYR1230 4.1 84.1 1.0
C18 A:1RU1401 4.1 68.0 1.0
CD2 A:TYR1230 4.2 81.9 1.0
O9 A:1RU1401 4.2 68.2 1.0
CE2 A:TYR1230 4.4 81.5 1.0
CB A:TYR1230 4.4 83.5 1.0
C5 A:1RU1401 4.5 69.0 1.0
O A:HOH1521 4.6 65.4 1.0
C A:GLY1085 4.6 97.0 1.0
CB A:VAL1092 4.6 74.3 1.0
C13 A:1RU1401 4.6 67.8 1.0
N A:GLY1085 4.7 95.8 1.0
N A:ARG1086 4.7 99.8 1.0
O A:ILE1084 4.8 98.4 1.0
OH A:TYR1230 4.9 85.2 1.0
C21 A:1RU1401 4.9 69.8 1.0

Chlorine binding site 2 out of 8 in 4knb

Go back to Chlorine Binding Sites List in 4knb
Chlorine binding site 2 out of 8 in the C-Met in Complex with Osi Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of C-Met in Complex with Osi Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1401

b:76.3
occ:1.00
 CL1 A:1RU1401 0.0 76.3 1.0
C3 A:1RU1401 1.7 68.4 1.0
C5 A:1RU1401 2.7 69.0 1.0
C1 A:1RU1401 2.7 69.4 1.0
O9 A:1RU1401 2.8 68.2 1.0
F12 A:1RU1401 2.8 66.9 1.0
C7 A:1RU1401 3.1 68.3 1.0
C8 A:1RU1401 3.4 65.7 1.0
CD2 A:LEU1140 3.6 60.6 1.0
C13 A:1RU1401 3.6 67.8 1.0
N22 A:1RU1401 3.8 66.5 1.0
C6 A:1RU1401 4.0 70.1 1.0
C2 A:1RU1401 4.0 68.4 1.0
CB A:ALA1221 4.0 59.4 1.0
C14 A:1RU1401 4.0 67.7 1.0
CG A:MET1211 4.2 62.3 1.0
CD1 A:LEU1157 4.3 58.5 1.0
C4 A:1RU1401 4.5 68.0 1.0
SD A:MET1211 4.5 66.0 1.0
N A:ASP1222 4.6 64.4 1.0
C18 A:1RU1401 4.6 68.0 1.0
CE A:MET1211 4.8 69.4 1.0
O A:HOH1518 4.9 64.2 1.0

Chlorine binding site 3 out of 8 in 4knb

Go back to Chlorine Binding Sites List in 4knb
Chlorine binding site 3 out of 8 in the C-Met in Complex with Osi Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of C-Met in Complex with Osi Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1401

b:86.5
occ:1.00
 CL2 B:1RU1401 0.0 86.5 1.0
C2 B:1RU1401 1.7 85.3 1.0
C4 B:1RU1401 2.7 85.9 1.0
C1 B:1RU1401 2.7 85.5 1.0
C7 B:1RU1401 3.1 83.5 1.0
O19 B:1RU1401 3.2 82.1 1.0
CD1 B:TYR1230 3.8 0.4 1.0
C20 B:1RU1401 3.8 83.8 1.0
CE1 B:TYR1230 3.8 1.0 1.0
C8 B:1RU1401 3.9 82.0 1.0
CG B:TYR1230 3.9 0.2 1.0
C6 B:1RU1401 4.0 85.8 1.0
CZ B:TYR1230 4.0 0.6 1.0
C3 B:1RU1401 4.0 85.7 1.0
CD2 B:TYR1230 4.1 94.5 1.0
CG2 B:VAL1092 4.1 0.4 1.0
CA B:GLY1085 4.2 0.5 1.0
CE2 B:TYR1230 4.2 95.4 1.0
C18 B:1RU1401 4.2 82.5 1.0
O9 B:1RU1401 4.3 81.8 1.0
O B:ILE1084 4.5 0.6 1.0
C5 B:1RU1401 4.5 83.9 1.0
CB B:TYR1230 4.7 0.6 1.0
OH B:TYR1230 4.7 0.6 1.0
CB B:VAL1092 4.7 0.1 1.0
C13 B:1RU1401 4.7 81.5 1.0
N B:GLY1085 4.9 0.3 1.0

Chlorine binding site 4 out of 8 in 4knb

Go back to Chlorine Binding Sites List in 4knb
Chlorine binding site 4 out of 8 in the C-Met in Complex with Osi Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of C-Met in Complex with Osi Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1401

b:90.6
occ:1.00
 CL1 B:1RU1401 0.0 90.6 1.0
C3 B:1RU1401 1.7 85.7 1.0
C5 B:1RU1401 2.7 83.9 1.0
C1 B:1RU1401 2.7 85.5 1.0
F12 B:1RU1401 2.9 80.1 1.0
O9 B:1RU1401 2.9 81.8 1.0
C7 B:1RU1401 3.1 83.5 1.0
C8 B:1RU1401 3.4 82.0 1.0
CB B:ALA1221 3.6 67.6 1.0
CD2 B:LEU1140 3.7 72.5 1.0
C13 B:1RU1401 3.7 81.5 1.0
N22 B:1RU1401 3.9 79.7 1.0
CG B:MET1211 3.9 73.9 1.0
C6 B:1RU1401 4.0 85.8 1.0
C2 B:1RU1401 4.0 85.3 1.0
CD1 B:LEU1157 4.1 79.5 1.0
SD B:MET1211 4.1 75.8 1.0
C14 B:1RU1401 4.2 81.4 1.0
N B:ASP1222 4.2 73.4 1.0
C4 B:1RU1401 4.5 85.9 1.0
CE B:MET1211 4.6 76.8 1.0
C18 B:1RU1401 4.7 82.5 1.0
O B:GBL1402 4.7 78.2 1.0
CA B:ALA1221 4.9 66.2 1.0
CA B:ASP1222 5.0 76.6 1.0

Chlorine binding site 5 out of 8 in 4knb

Go back to Chlorine Binding Sites List in 4knb
Chlorine binding site 5 out of 8 in the C-Met in Complex with Osi Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of C-Met in Complex with Osi Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1401

b:72.1
occ:1.00
 CL2 C:1RU1401 0.0 72.1 1.0
C2 C:1RU1401 1.7 73.2 1.0
C4 C:1RU1401 2.7 70.8 1.0
C1 C:1RU1401 2.7 71.7 1.0
C7 C:1RU1401 3.1 72.5 1.0
O19 C:1RU1401 3.3 75.3 1.0
CD1 C:TYR1230 3.4 81.8 1.0
CE1 C:TYR1230 3.5 83.4 1.0
CG C:TYR1230 3.6 81.7 1.0
CZ C:TYR1230 3.8 80.6 1.0
C20 C:1RU1401 3.9 78.8 1.0
C8 C:1RU1401 3.9 72.8 1.0
O C:ILE1084 4.0 95.0 1.0
CD2 C:TYR1230 4.0 77.3 1.0
C6 C:1RU1401 4.0 72.1 1.0
C3 C:1RU1401 4.0 71.7 1.0
CG2 C:VAL1092 4.1 76.8 1.0
CE2 C:TYR1230 4.1 76.8 1.0
CA C:GLY1085 4.1 1.0 1.0
C18 C:1RU1401 4.3 75.5 1.0
O9 C:1RU1401 4.3 72.0 1.0
CB C:TYR1230 4.4 81.4 1.0
C5 C:1RU1401 4.5 71.2 1.0
CB C:VAL1092 4.6 76.4 1.0
OH C:TYR1230 4.6 83.9 1.0
C13 C:1RU1401 4.7 73.7 1.0
C C:ILE1084 4.9 98.7 1.0
CG1 C:VAL1092 4.9 69.8 1.0

Chlorine binding site 6 out of 8 in 4knb

Go back to Chlorine Binding Sites List in 4knb
Chlorine binding site 6 out of 8 in the C-Met in Complex with Osi Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of C-Met in Complex with Osi Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1401

b:79.3
occ:1.00
 CL1 C:1RU1401 0.0 79.3 1.0
C3 C:1RU1401 1.7 71.7 1.0
C5 C:1RU1401 2.7 71.2 1.0
C1 C:1RU1401 2.7 71.7 1.0
O9 C:1RU1401 2.8 72.0 1.0
F12 C:1RU1401 2.9 70.9 1.0
C7 C:1RU1401 3.1 72.5 1.0
C8 C:1RU1401 3.3 72.8 1.0
C13 C:1RU1401 3.6 73.7 1.0
CD2 C:LEU1140 3.6 68.9 1.0
N22 C:1RU1401 3.7 74.1 1.0
C6 C:1RU1401 4.0 72.1 1.0
C14 C:1RU1401 4.0 73.5 1.0
CG C:MET1211 4.0 70.1 1.0
C2 C:1RU1401 4.0 73.2 1.0
CB C:ALA1221 4.0 60.1 1.0
CD1 C:LEU1157 4.3 68.5 1.0
SD C:MET1211 4.3 74.3 1.0
C4 C:1RU1401 4.5 70.8 1.0
N C:ASP1222 4.6 63.6 1.0
C18 C:1RU1401 4.7 75.5 1.0
CE C:MET1211 4.7 75.2 1.0

Chlorine binding site 7 out of 8 in 4knb

Go back to Chlorine Binding Sites List in 4knb
Chlorine binding site 7 out of 8 in the C-Met in Complex with Osi Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of C-Met in Complex with Osi Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1401

b:85.0
occ:1.00
 CL2 D:1RU1401 0.0 85.0 1.0
C2 D:1RU1401 1.7 85.4 1.0
C4 D:1RU1401 2.7 85.3 1.0
C1 D:1RU1401 2.7 84.6 1.0
C7 D:1RU1401 3.0 83.3 1.0
O19 D:1RU1401 3.1 84.3 1.0
C20 D:1RU1401 3.6 85.5 1.0
C8 D:1RU1401 3.9 81.1 1.0
C6 D:1RU1401 4.0 84.6 1.0
C3 D:1RU1401 4.0 85.5 1.0
CG2 D:VAL1092 4.0 93.6 1.0
CA D:GLY1085 4.1 0.5 1.0
C18 D:1RU1401 4.1 83.7 1.0
O9 D:1RU1401 4.2 82.3 1.0
O D:ILE1084 4.3 0.4 1.0
C5 D:1RU1401 4.5 84.1 1.0
CB D:VAL1092 4.5 93.0 1.0
C13 D:1RU1401 4.6 80.8 1.0
CG1 D:VAL1092 4.7 87.9 1.0
C D:GLY1085 4.9 1.0 1.0
C21 D:1RU1401 4.9 85.8 1.0

Chlorine binding site 8 out of 8 in 4knb

Go back to Chlorine Binding Sites List in 4knb
Chlorine binding site 8 out of 8 in the C-Met in Complex with Osi Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of C-Met in Complex with Osi Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1401

b:90.1
occ:1.00
 CL1 D:1RU1401 0.0 90.1 1.0
C3 D:1RU1401 1.7 85.5 1.0
C5 D:1RU1401 2.7 84.1 1.0
C1 D:1RU1401 2.7 84.6 1.0
F12 D:1RU1401 2.9 83.1 1.0
O9 D:1RU1401 3.0 82.3 1.0
C7 D:1RU1401 3.1 83.3 1.0
C8 D:1RU1401 3.4 81.1 1.0
CD2 D:LEU1140 3.6 57.4 1.0
N22 D:1RU1401 3.7 81.8 1.0
C13 D:1RU1401 3.7 80.8 1.0
CD1 D:LEU1157 3.7 59.6 1.0
C14 D:1RU1401 4.0 79.7 1.0
C6 D:1RU1401 4.0 84.6 1.0
CB D:ALA1221 4.0 70.5 1.0
C2 D:1RU1401 4.0 85.4 1.0
CG D:MET1211 4.2 68.9 1.0
SD D:MET1211 4.4 71.8 1.0
C4 D:1RU1401 4.5 85.3 1.0
C18 D:1RU1401 4.7 83.7 1.0
CE D:MET1211 4.7 69.5 1.0
N D:ASP1222 4.7 77.0 1.0

Reference:

A.G.Steinig, A.H.Li, J.Wang, X.Chen, H.Dong, C.Ferraro, M.Jin, M.Kadalbajoo, A.Kleinberg, K.M.Stolz, P.A.Tavares-Greco, T.Wang, M.R.Albertella, Y.Peng, L.Crew, J.Kahler, J.Kan, R.Schulz, A.Cooke, M.Bittner, R.W.Turton, M.Franklin, P.Gokhale, D.Landfair, C.Mantis, J.Workman, R.Wild, J.Pachter, D.Epstein, M.J.Mulvihill. Novel 6-Aminofuro[3,2-C]Pyridines As Potent, Orally Efficacious Inhibitors of Cmet and Ron Kinases. Bioorg.Med.Chem.Lett. V. 23 4381 2013.
ISSN: ISSN 0960-894X
PubMed: 23773865
DOI: 10.1016/J.BMCL.2013.05.074
Page generated: Fri Jul 11 17:50:50 2025

Last articles

Mn in 8F4G
Mn in 8F4E
Mn in 8F4D
Mn in 8F4F
Mn in 8F4C
Mn in 8EZ5
Mn in 8ECY
Mn in 8EQM
Mn in 8EIP
Mn in 8EPZ
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy