Atomistry » Chlorine » PDB 1i3l-1iqi » 1i48
Atomistry »
  Chlorine »
    PDB 1i3l-1iqi »
      1i48 »

Chlorine in PDB 1i48: Cystathionine Gamma-Synthase in Complex with the Inhibitor Ctcpo

Enzymatic activity of Cystathionine Gamma-Synthase in Complex with the Inhibitor Ctcpo

All present enzymatic activity of Cystathionine Gamma-Synthase in Complex with the Inhibitor Ctcpo:
4.2.99.9;

Protein crystallography data

The structure of Cystathionine Gamma-Synthase in Complex with the Inhibitor Ctcpo, PDB code: 1i48 was solved by C.Steegborn, B.Laber, A.Messerschmidt, R.Huber, T.Clausen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 3.25
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 312.400, 165.600, 162.200, 90.00, 89.80, 90.00
R / Rfree (%) 22.6 / 25.7

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the Cystathionine Gamma-Synthase in Complex with the Inhibitor Ctcpo (pdb code 1i48). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Cystathionine Gamma-Synthase in Complex with the Inhibitor Ctcpo, PDB code: 1i48:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 1i48

Go back to Chlorine Binding Sites List in 1i48
Chlorine binding site 1 out of 12 in the Cystathionine Gamma-Synthase in Complex with the Inhibitor Ctcpo


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cystathionine Gamma-Synthase in Complex with the Inhibitor Ctcpo within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl600

b:10.8
occ:1.00
 CL5 A:CCO600 0.0 10.8 1.0
C5 A:CCO600 1.8 21.4 1.0
C6 A:CCO600 2.7 23.2 1.0
C4 A:CCO600 2.8 32.2 1.0
N A:SER425 3.5 19.2 1.0
CB A:SER425 3.7 29.0 1.0
C A:PHE424 3.7 16.4 1.0
CA A:SER425 3.7 23.6 1.0
CB A:ALA361 3.8 16.7 1.0
O A:PHE424 3.9 20.2 1.0
N A:PHE424 3.9 17.0 1.0
CB A:ARG423 4.0 23.9 1.0
C1 A:CCO600 4.1 31.8 1.0
C3 A:CCO600 4.1 35.2 1.0
CB A:PHE389 4.1 11.5 1.0
CA A:PHE424 4.4 11.5 1.0
C A:ARG423 4.4 21.8 1.0
CA A:ALA361 4.4 15.8 1.0
CG A:PHE389 4.4 12.6 1.0
CE1 A:PHE239 4.5 20.1 1.0
C2 A:CCO600 4.6 32.1 1.0
CA A:ARG423 4.6 23.1 1.0
CD2 A:PHE389 4.7 15.6 1.0
OG A:SER425 4.7 35.8 1.0
CD A:ARG423 4.8 31.7 1.0
CG A:ARG423 4.8 28.9 1.0
N A:VAL362 4.8 16.9 1.0
CZ A:PHE239 4.9 21.6 1.0

Chlorine binding site 2 out of 12 in 1i48

Go back to Chlorine Binding Sites List in 1i48
Chlorine binding site 2 out of 12 in the Cystathionine Gamma-Synthase in Complex with the Inhibitor Ctcpo


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cystathionine Gamma-Synthase in Complex with the Inhibitor Ctcpo within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl601

b:26.0
occ:1.00
 CL5 B:CCO601 0.0 26.0 1.0
C5 B:CCO601 1.8 28.7 1.0
C6 B:CCO601 2.7 28.7 1.0
C4 B:CCO601 2.8 31.4 1.0
CB B:ALA361 3.7 23.2 1.0
N B:SER425 3.9 17.2 1.0
CB B:ARG423 4.0 26.7 1.0
CB B:SER425 4.0 25.9 1.0
C B:PHE424 4.0 14.0 1.0
C3 B:CCO601 4.1 29.1 1.0
C1 B:CCO601 4.1 31.5 1.0
CA B:SER425 4.1 21.8 1.0
N B:PHE424 4.1 9.8 1.0
O B:PHE424 4.1 15.4 1.0
CE1 B:PHE239 4.2 3.0 1.0
CB B:PHE389 4.3 12.5 1.0
CA B:ALA361 4.4 19.7 1.0
CG B:PHE389 4.4 11.4 1.0
C B:ARG423 4.5 14.5 1.0
CZ B:PHE239 4.5 9.3 1.0
C2 B:CCO601 4.6 30.4 1.0
CD2 B:PHE389 4.6 8.2 1.0
CA B:PHE424 4.6 9.7 1.0
CD B:ARG423 4.6 40.3 1.0
CA B:ARG423 4.6 19.9 1.0
CG B:ARG423 4.7 33.4 1.0
N B:VAL362 4.8 16.7 1.0

Chlorine binding site 3 out of 12 in 1i48

Go back to Chlorine Binding Sites List in 1i48
Chlorine binding site 3 out of 12 in the Cystathionine Gamma-Synthase in Complex with the Inhibitor Ctcpo


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Cystathionine Gamma-Synthase in Complex with the Inhibitor Ctcpo within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl602

b:28.2
occ:1.00
 CL5 C:CCO602 0.0 28.2 1.0
C5 C:CCO602 1.7 38.7 1.0
C6 C:CCO602 2.8 40.4 1.0
C4 C:CCO602 2.8 46.8 1.0
N C:SER425 3.6 20.6 1.0
CB C:SER425 3.7 25.7 1.0
C C:PHE424 3.8 20.0 1.0
CA C:SER425 3.8 22.3 1.0
CB C:ALA361 3.9 25.4 1.0
CB C:ARG423 3.9 27.4 1.0
N C:PHE424 3.9 20.7 1.0
O C:PHE424 4.1 24.6 1.0
C3 C:CCO602 4.1 47.8 1.0
C1 C:CCO602 4.1 46.3 1.0
CB C:PHE389 4.2 14.5 1.0
C C:ARG423 4.3 24.5 1.0
CA C:PHE424 4.4 17.4 1.0
CG C:PHE389 4.5 18.5 1.0
CA C:ALA361 4.5 21.6 1.0
CE1 C:PHE239 4.5 21.7 1.0
CA C:ARG423 4.6 25.9 1.0
C2 C:CCO602 4.6 45.5 1.0
CD2 C:PHE389 4.7 19.9 1.0
CD C:ARG423 4.8 46.4 1.0
CG C:ARG423 4.8 35.3 1.0
OG C:SER425 4.8 30.5 1.0
N C:VAL362 4.8 19.1 1.0
CZ C:PHE239 4.9 22.7 1.0
O C:ARG423 4.9 26.9 1.0

Chlorine binding site 4 out of 12 in 1i48

Go back to Chlorine Binding Sites List in 1i48
Chlorine binding site 4 out of 12 in the Cystathionine Gamma-Synthase in Complex with the Inhibitor Ctcpo


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Cystathionine Gamma-Synthase in Complex with the Inhibitor Ctcpo within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl603

b:10.7
occ:1.00
 CL5 D:CCO603 0.0 10.7 1.0
C5 D:CCO603 1.8 19.4 1.0
C6 D:CCO603 2.7 19.8 1.0
C4 D:CCO603 2.8 25.4 1.0
N D:SER425 3.5 24.9 1.0
C D:PHE424 3.7 22.8 1.0
CB D:SER425 3.7 32.5 1.0
CA D:SER425 3.8 26.7 1.0
N D:PHE424 3.8 13.6 1.0
CB D:ARG423 3.8 25.0 1.0
O D:PHE424 3.9 24.8 1.0
CB D:ALA361 4.0 21.6 1.0
C1 D:CCO603 4.1 22.4 1.0
C3 D:CCO603 4.1 22.3 1.0
CB D:PHE389 4.1 21.3 1.0
C D:ARG423 4.2 18.4 1.0
CA D:PHE424 4.3 15.8 1.0
CA D:ARG423 4.5 19.7 1.0
CG D:PHE389 4.5 21.4 1.0
CA D:ALA361 4.6 19.1 1.0
C2 D:CCO603 4.6 22.5 1.0
CD D:ARG423 4.7 33.0 1.0
CD2 D:PHE389 4.7 23.4 1.0
CG D:ARG423 4.7 29.1 1.0
CE1 D:PHE239 4.8 17.9 1.0
O D:ARG423 4.8 13.3 1.0
OG D:SER425 4.8 35.9 1.0
N D:VAL362 4.9 19.0 1.0

Chlorine binding site 5 out of 12 in 1i48

Go back to Chlorine Binding Sites List in 1i48
Chlorine binding site 5 out of 12 in the Cystathionine Gamma-Synthase in Complex with the Inhibitor Ctcpo


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Cystathionine Gamma-Synthase in Complex with the Inhibitor Ctcpo within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl604

b:24.4
occ:1.00
 CL5 E:CCO604 0.0 24.4 1.0
C5 E:CCO604 1.7 33.6 1.0
C4 E:CCO604 2.7 37.6 1.0
C6 E:CCO604 2.8 37.3 1.0
CB E:ALA361 3.6 16.4 1.0
CE1 E:PHE239 3.9 10.4 1.0
CB E:ARG423 4.0 28.9 1.0
C3 E:CCO604 4.1 40.4 1.0
C1 E:CCO604 4.1 42.9 1.0
N E:SER425 4.2 21.6 1.0
C E:PHE424 4.2 24.7 1.0
CZ E:PHE239 4.3 11.4 1.0
N E:PHE424 4.3 25.3 1.0
CB E:PHE389 4.3 17.4 1.0
O E:PHE424 4.3 27.0 1.0
CB E:SER425 4.3 24.5 1.0
CA E:SER425 4.4 22.2 1.0
CG E:PHE389 4.4 16.2 1.0
CA E:ALA361 4.4 12.3 1.0
CD E:ARG423 4.5 43.0 1.0
CD2 E:PHE389 4.6 13.8 1.0
C2 E:CCO604 4.6 39.5 1.0
C E:ARG423 4.6 25.9 1.0
CG E:ARG423 4.6 36.6 1.0
CA E:ARG423 4.7 24.8 1.0
CA E:PHE424 4.8 23.6 1.0
N E:VAL362 4.8 16.3 1.0
CD1 E:PHE389 5.0 13.2 1.0
C E:ALA361 5.0 16.4 1.0

Chlorine binding site 6 out of 12 in 1i48

Go back to Chlorine Binding Sites List in 1i48
Chlorine binding site 6 out of 12 in the Cystathionine Gamma-Synthase in Complex with the Inhibitor Ctcpo


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Cystathionine Gamma-Synthase in Complex with the Inhibitor Ctcpo within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl605

b:19.1
occ:1.00
 CL5 F:CCO605 0.0 19.1 1.0
C5 F:CCO605 1.8 27.9 1.0
C6 F:CCO605 2.7 28.0 1.0
C4 F:CCO605 2.8 31.4 1.0
N F:SER425 3.7 27.4 1.0
C F:PHE424 3.8 27.5 1.0
CB F:ARG423 3.8 33.5 1.0
CB F:SER425 3.8 33.1 1.0
N F:PHE424 3.9 25.3 1.0
CA F:SER425 3.9 28.7 1.0
C1 F:CCO605 4.1 30.6 1.0
C3 F:CCO605 4.1 32.6 1.0
CB F:ALA361 4.1 16.7 1.0
O F:PHE424 4.1 30.3 1.0
CB F:PHE389 4.2 24.4 1.0
C F:ARG423 4.2 30.8 1.0
CA F:PHE424 4.3 24.2 1.0
CG F:PHE389 4.5 22.6 1.0
CA F:ARG423 4.5 30.3 1.0
C2 F:CCO605 4.6 31.6 1.0
CA F:ALA361 4.6 16.1 1.0
CE1 F:PHE239 4.6 22.0 1.0
CD2 F:PHE389 4.7 26.1 1.0
CD F:ARG423 4.7 47.0 1.0
CG F:ARG423 4.7 38.6 1.0
O F:ARG423 4.9 36.9 1.0
OG F:SER425 4.9 28.5 1.0

Chlorine binding site 7 out of 12 in 1i48

Go back to Chlorine Binding Sites List in 1i48
Chlorine binding site 7 out of 12 in the Cystathionine Gamma-Synthase in Complex with the Inhibitor Ctcpo


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Cystathionine Gamma-Synthase in Complex with the Inhibitor Ctcpo within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl606

b:33.2
occ:1.00
 CL5 G:CCO606 0.0 33.2 1.0
C5 G:CCO606 1.8 40.3 1.0
C4 G:CCO606 2.7 43.5 1.0
C6 G:CCO606 2.7 43.3 1.0
CB G:ALA361 3.6 28.8 1.0
CB G:ARG423 3.9 32.1 1.0
CE1 G:PHE239 4.1 22.6 1.0
C3 G:CCO606 4.1 45.7 1.0
C1 G:CCO606 4.1 48.5 1.0
N G:SER425 4.2 27.3 1.0
C G:PHE424 4.2 25.3 1.0
N G:PHE424 4.2 20.6 1.0
CB G:SER425 4.3 32.4 1.0
CA G:SER425 4.3 28.7 1.0
O G:PHE424 4.4 27.9 1.0
CB G:PHE389 4.4 9.5 1.0
CA G:ALA361 4.4 26.9 1.0
CZ G:PHE239 4.4 18.3 1.0
CG G:PHE389 4.4 9.6 1.0
CD G:ARG423 4.5 45.5 1.0
CG G:ARG423 4.6 39.4 1.0
C G:ARG423 4.6 25.6 1.0
CD2 G:PHE389 4.6 10.0 1.0
C2 G:CCO606 4.6 45.9 1.0
CA G:ARG423 4.6 28.9 1.0
CA G:PHE424 4.8 20.4 1.0
N G:VAL362 4.8 28.4 1.0
C G:ALA361 5.0 28.1 1.0

Chlorine binding site 8 out of 12 in 1i48

Go back to Chlorine Binding Sites List in 1i48
Chlorine binding site 8 out of 12 in the Cystathionine Gamma-Synthase in Complex with the Inhibitor Ctcpo


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Cystathionine Gamma-Synthase in Complex with the Inhibitor Ctcpo within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl607

b:15.1
occ:1.00
 CL5 H:CCO607 0.0 15.1 1.0
C5 H:CCO607 1.7 23.6 1.0
C6 H:CCO607 2.7 27.8 1.0
C4 H:CCO607 2.8 34.0 1.0
N H:SER425 3.6 27.8 1.0
CB H:ALA361 3.7 27.9 1.0
C H:PHE424 3.7 28.0 1.0
N H:PHE424 3.9 24.9 1.0
CB H:SER425 3.9 32.0 1.0
CA H:SER425 3.9 28.1 1.0
CB H:ARG423 3.9 30.6 1.0
O H:PHE424 4.0 31.4 1.0
C1 H:CCO607 4.1 38.8 1.0
C3 H:CCO607 4.1 33.8 1.0
C H:ARG423 4.3 28.0 1.0
CA H:ALA361 4.3 23.6 1.0
CA H:PHE424 4.3 23.6 1.0
CB H:PHE389 4.3 26.6 1.0
CE1 H:PHE239 4.5 18.5 1.0
CA H:ARG423 4.5 28.6 1.0
CG H:PHE389 4.6 27.9 1.0
C2 H:CCO607 4.6 37.5 1.0
N H:VAL362 4.6 21.6 1.0
CG H:ARG423 4.7 36.9 1.0
CD H:ARG423 4.8 44.9 1.0
CD2 H:PHE389 4.8 29.4 1.0
C H:ALA361 4.9 23.0 1.0
CZ H:PHE239 4.9 19.7 1.0
OG H:SER425 4.9 40.0 1.0
O H:ARG423 5.0 28.1 1.0

Chlorine binding site 9 out of 12 in 1i48

Go back to Chlorine Binding Sites List in 1i48
Chlorine binding site 9 out of 12 in the Cystathionine Gamma-Synthase in Complex with the Inhibitor Ctcpo


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Cystathionine Gamma-Synthase in Complex with the Inhibitor Ctcpo within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl608

b:23.1
occ:1.00
 CL5 I:CCO608 0.0 23.1 1.0
C5 I:CCO608 1.7 29.6 1.0
C4 I:CCO608 2.7 36.1 1.0
C6 I:CCO608 2.7 34.2 1.0
CB I:ALA361 3.7 17.4 1.0
N I:SER425 3.9 22.7 1.0
C I:PHE424 4.0 23.5 1.0
CB I:SER425 4.0 26.4 1.0
CB I:ARG423 4.0 25.0 1.0
C3 I:CCO608 4.1 40.5 1.0
CA I:SER425 4.1 21.4 1.0
C1 I:CCO608 4.1 41.9 1.0
N I:PHE424 4.1 19.6 1.0
O I:PHE424 4.1 30.6 1.0
CE1 I:PHE239 4.2 15.9 1.0
CB I:PHE389 4.2 18.4 1.0
CG I:PHE389 4.4 18.0 1.0
CA I:ALA361 4.4 14.6 1.0
C I:ARG423 4.5 20.2 1.0
CD I:ARG423 4.5 39.3 1.0
CZ I:PHE239 4.5 13.3 1.0
C2 I:CCO608 4.6 41.2 1.0
CG I:ARG423 4.6 33.8 1.0
CA I:PHE424 4.6 19.8 1.0
CD2 I:PHE389 4.6 17.1 1.0
CA I:ARG423 4.6 21.0 1.0
N I:VAL362 4.8 13.7 1.0
CD1 I:PHE389 4.9 15.9 1.0
C I:ALA361 5.0 16.5 1.0

Chlorine binding site 10 out of 12 in 1i48

Go back to Chlorine Binding Sites List in 1i48
Chlorine binding site 10 out of 12 in the Cystathionine Gamma-Synthase in Complex with the Inhibitor Ctcpo


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Cystathionine Gamma-Synthase in Complex with the Inhibitor Ctcpo within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl609

b:48.6
occ:1.00
 CL5 J:CCO609 0.0 48.6 1.0
C5 J:CCO609 1.8 53.7 1.0
C4 J:CCO609 2.7 56.3 1.0
C6 J:CCO609 2.8 55.0 1.0
CB J:ARG423 3.6 37.0 1.0
C3 J:CCO609 4.1 59.9 1.0
C1 J:CCO609 4.1 59.8 1.0
N J:PHE424 4.1 32.8 1.0
CB J:ALA361 4.2 31.5 1.0
C J:PHE424 4.2 35.1 1.0
N J:SER425 4.2 36.7 1.0
CD J:ARG423 4.3 50.4 1.0
C J:ARG423 4.3 34.7 1.0
CB J:SER425 4.4 47.5 1.0
CE1 J:PHE239 4.4 23.4 1.0
O J:PHE424 4.4 36.4 1.0
CG J:ARG423 4.4 42.3 1.0
CB J:PHE389 4.4 24.5 1.0
CA J:ARG423 4.4 35.9 1.0
CA J:SER425 4.5 40.9 1.0
CG J:PHE389 4.6 28.1 1.0
CZ J:PHE239 4.6 20.5 1.0
C2 J:CCO609 4.6 58.8 1.0
CD2 J:PHE389 4.6 30.1 1.0
CA J:PHE424 4.7 33.5 1.0
CA J:ALA361 4.9 28.8 1.0

Reference:

C.Steegborn, B.Laber, A.Messerschmidt, R.Huber, T.Clausen. Crystal Structures of Cystathionine Gamma-Synthase Inhibitor Complexes Rationalize the Increased Affinity of A Novel Inhibitor. J.Mol.Biol. V. 311 789 2001.
ISSN: ISSN 0022-2836
PubMed: 11518531
DOI: 10.1006/JMBI.2001.4880
Page generated: Sat Dec 12 08:37:40 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy