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Chlorine in PDB 5tc5: Crystal Structure of Human 5'-Deoxy-5'-Methylthioadenosine Phosphorylase in Complex with Butylthio-Dadme-Immucillin-A and Chloride

Enzymatic activity of Crystal Structure of Human 5'-Deoxy-5'-Methylthioadenosine Phosphorylase in Complex with Butylthio-Dadme-Immucillin-A and Chloride

All present enzymatic activity of Crystal Structure of Human 5'-Deoxy-5'-Methylthioadenosine Phosphorylase in Complex with Butylthio-Dadme-Immucillin-A and Chloride:
2.4.2.28;

Protein crystallography data

The structure of Crystal Structure of Human 5'-Deoxy-5'-Methylthioadenosine Phosphorylase in Complex with Butylthio-Dadme-Immucillin-A and Chloride, PDB code: 5tc5 was solved by S.A.Cameron, R.S.Firestone, V.L.Schramm, S.C.Almo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.00 / 1.96
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 89.522, 121.927, 192.522, 90.00, 90.00, 90.00
R / Rfree (%) 19 / 21.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human 5'-Deoxy-5'-Methylthioadenosine Phosphorylase in Complex with Butylthio-Dadme-Immucillin-A and Chloride (pdb code 5tc5). 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 Human 5'-Deoxy-5'-Methylthioadenosine Phosphorylase in Complex with Butylthio-Dadme-Immucillin-A and Chloride, PDB code: 5tc5:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5tc5

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Chlorine binding site 1 out of 4 in the Crystal Structure of Human 5'-Deoxy-5'-Methylthioadenosine Phosphorylase in Complex with Butylthio-Dadme-Immucillin-A and Chloride


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 5'-Deoxy-5'-Methylthioadenosine Phosphorylase in Complex with Butylthio-Dadme-Immucillin-A and Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:33.6
occ:1.00
 OG1 A:THR197 3.1 31.1 1.0
N A:MET196 3.2 30.9 1.0
N A:THR197 3.5 30.5 1.0
N1' A:BIG301 3.5 28.0 1.0
C2' A:BIG301 3.5 34.5 1.0
CG2 A:THR197 3.5 36.4 1.0
C10 A:BIG301 3.5 22.3 1.0
OG1 A:THR93 3.7 34.3 1.0
CB A:ASN195 3.7 29.2 1.0
O A:HOH472 3.8 44.5 1.0
CB A:THR197 3.8 33.2 1.0
CA A:MET196 3.8 31.6 1.0
C A:MET196 3.9 33.7 1.0
CB A:MET196 4.0 32.3 1.0
CG A:ASN195 4.0 29.9 1.0
ND2 A:ASN195 4.0 28.9 1.0
C A:ASN195 4.2 30.8 1.0
O A:ALA94 4.2 27.8 1.0
CA A:THR197 4.3 33.1 1.0
O3' A:BIG301 4.3 41.8 1.0
CA A:ASN195 4.3 29.0 1.0
C3' A:BIG301 4.5 35.3 1.0
CG A:MET196 4.7 31.5 1.0
OD1 A:ASN195 4.8 29.7 1.0
C9 A:BIG301 4.9 31.9 1.0
CB A:THR93 4.9 35.8 1.0
C1' A:BIG301 4.9 28.1 1.0
O A:MET196 4.9 29.5 1.0

Chlorine binding site 2 out of 4 in 5tc5

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Chlorine binding site 2 out of 4 in the Crystal Structure of Human 5'-Deoxy-5'-Methylthioadenosine Phosphorylase in Complex with Butylthio-Dadme-Immucillin-A and Chloride


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 5'-Deoxy-5'-Methylthioadenosine Phosphorylase in Complex with Butylthio-Dadme-Immucillin-A and Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:29.5
occ:1.00
 O C:HOH470 2.5 39.6 1.0
NH1 C:ARG116 3.2 28.1 1.0
NH1 A:ARG116 3.2 28.2 1.0
NH1 B:ARG116 3.2 27.7 1.0
CD C:ARG116 3.9 29.8 1.0
CD A:ARG116 3.9 30.4 1.0
CD B:ARG116 3.9 28.6 1.0
CH2 C:TRP189 4.2 29.6 1.0
CZ C:ARG116 4.3 30.1 1.0
CZ B:ARG116 4.3 28.3 1.0
CZ A:ARG116 4.3 27.7 1.0
CH2 B:TRP189 4.4 30.6 1.0
CH2 A:TRP189 4.4 28.1 1.0
O B:HOH436 4.4 40.3 1.0
NE C:ARG116 4.6 27.9 1.0
NE A:ARG116 4.6 26.7 1.0
NE B:ARG116 4.6 27.7 1.0
CZ3 C:TRP189 4.9 28.8 1.0
CZ3 B:TRP189 4.9 29.8 1.0

Chlorine binding site 3 out of 4 in 5tc5

Go back to Chlorine Binding Sites List in 5tc5
Chlorine binding site 3 out of 4 in the Crystal Structure of Human 5'-Deoxy-5'-Methylthioadenosine Phosphorylase in Complex with Butylthio-Dadme-Immucillin-A and Chloride


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 5'-Deoxy-5'-Methylthioadenosine Phosphorylase in Complex with Butylthio-Dadme-Immucillin-A and Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:34.8
occ:1.00
 OG1 B:THR197 3.0 33.8 1.0
N B:MET196 3.2 31.3 1.0
CG2 B:THR197 3.5 37.1 1.0
N B:THR197 3.5 32.6 1.0
C2' B:BIG301 3.6 35.0 1.0
N1' B:BIG301 3.7 33.8 1.0
OG1 B:THR93 3.7 38.2 1.0
C10 B:BIG301 3.7 26.0 1.0
CB B:THR197 3.7 36.6 1.0
CB B:ASN195 3.8 30.9 1.0
CA B:MET196 3.9 32.9 1.0
C B:MET196 3.9 34.1 1.0
CB B:MET196 4.0 33.0 1.0
ND2 B:ASN195 4.1 31.8 1.0
CG B:ASN195 4.1 31.1 1.0
O B:HOH456 4.2 40.2 1.0
O B:ALA94 4.2 33.4 1.0
CA B:THR197 4.3 33.7 1.0
C B:ASN195 4.3 31.0 1.0
CA B:ASN195 4.4 29.8 1.0
C3' B:BIG301 4.7 35.1 1.0
CG B:MET196 4.7 32.3 1.0
O3' B:BIG301 4.8 44.8 1.0
OD1 B:ASN195 4.9 31.3 1.0
CB B:THR93 4.9 40.2 1.0
O B:MET196 5.0 31.9 1.0

Chlorine binding site 4 out of 4 in 5tc5

Go back to Chlorine Binding Sites List in 5tc5
Chlorine binding site 4 out of 4 in the Crystal Structure of Human 5'-Deoxy-5'-Methylthioadenosine Phosphorylase in Complex with Butylthio-Dadme-Immucillin-A and Chloride


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 5'-Deoxy-5'-Methylthioadenosine Phosphorylase in Complex with Butylthio-Dadme-Immucillin-A and Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:38.8
occ:1.00
 OG1 C:THR197 3.1 34.3 1.0
N C:MET196 3.2 33.1 1.0
O C:HOH466 3.3 51.4 1.0
CG2 C:THR197 3.5 41.4 1.0
N1' C:BIG301 3.6 34.9 1.0
N C:THR197 3.6 34.0 1.0
C2' C:BIG301 3.6 38.8 1.0
C10 C:BIG301 3.6 26.6 1.0
OG1 C:THR93 3.6 35.6 1.0
CB C:ASN195 3.6 30.1 1.0
CB C:THR197 3.8 37.2 1.0
CA C:MET196 3.9 33.6 1.0
ND2 C:ASN195 4.0 30.5 1.0
CG C:ASN195 4.0 29.4 1.0
C C:MET196 4.0 34.4 1.0
CB C:MET196 4.0 35.3 1.0
O C:ALA94 4.2 32.5 1.0
C C:ASN195 4.2 31.1 1.0
CA C:ASN195 4.3 28.7 1.0
CA C:THR197 4.3 35.3 1.0
O3' C:BIG301 4.5 57.0 1.0
C3' C:BIG301 4.5 40.7 1.0
CG C:MET196 4.7 33.8 1.0
OD1 C:ASN195 4.8 28.9 1.0
CB C:THR93 4.9 36.5 1.0
C9 C:BIG301 4.9 32.1 1.0
O C:MET196 5.0 35.0 1.0

Reference:

R.S.Firestone, S.A.Cameron, J.M.Karp, V.L.Arcus, V.L.Schramm. Tba To Be Published.
Page generated: Fri Jul 26 17:23:49 2024

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