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Chlorine in PDB 1zg7: Crystal Structure of 2-(5-{[Amino(Imino)Methyl]Amino}-2- Chlorophenyl)-3-Sulfanylpropanoic Acid Bound to Activated Porcine Pancreatic Carboxypeptidase B

Enzymatic activity of Crystal Structure of 2-(5-{[Amino(Imino)Methyl]Amino}-2- Chlorophenyl)-3-Sulfanylpropanoic Acid Bound to Activated Porcine Pancreatic Carboxypeptidase B

All present enzymatic activity of Crystal Structure of 2-(5-{[Amino(Imino)Methyl]Amino}-2- Chlorophenyl)-3-Sulfanylpropanoic Acid Bound to Activated Porcine Pancreatic Carboxypeptidase B:
3.4.17.2;

Protein crystallography data

The structure of Crystal Structure of 2-(5-{[Amino(Imino)Methyl]Amino}-2- Chlorophenyl)-3-Sulfanylpropanoic Acid Bound to Activated Porcine Pancreatic Carboxypeptidase B, PDB code: 1zg7 was solved by M.Adler, J.Bryant, B.Buckman, I.Islam, B.Larsen, S.Finster, L.Kent, K.May, R.Mohan, S.Yuan, M.Whitlow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 1.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 67.504, 100.369, 136.004, 90.00, 90.00, 90.00
R / Rfree (%) 20.8 / 26.2

Other elements in 1zg7:

The structure of Crystal Structure of 2-(5-{[Amino(Imino)Methyl]Amino}-2- Chlorophenyl)-3-Sulfanylpropanoic Acid Bound to Activated Porcine Pancreatic Carboxypeptidase B also contains other interesting chemical elements:

Zinc (Zn) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of 2-(5-{[Amino(Imino)Methyl]Amino}-2- Chlorophenyl)-3-Sulfanylpropanoic Acid Bound to Activated Porcine Pancreatic Carboxypeptidase B (pdb code 1zg7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of 2-(5-{[Amino(Imino)Methyl]Amino}-2- Chlorophenyl)-3-Sulfanylpropanoic Acid Bound to Activated Porcine Pancreatic Carboxypeptidase B, PDB code: 1zg7:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 1zg7

Go back to Chlorine Binding Sites List in 1zg7
Chlorine binding site 1 out of 3 in the Crystal Structure of 2-(5-{[Amino(Imino)Methyl]Amino}-2- Chlorophenyl)-3-Sulfanylpropanoic Acid Bound to Activated Porcine Pancreatic Carboxypeptidase B


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 2-(5-{[Amino(Imino)Methyl]Amino}-2- Chlorophenyl)-3-Sulfanylpropanoic Acid Bound to Activated Porcine Pancreatic Carboxypeptidase B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:27.4
occ:1.00
 CL16 A:P20401 0.0 27.4 1.0
C6 A:P20401 1.7 24.1 1.0
C7 A:P20401 2.6 23.2 1.0
C3 A:P20401 2.7 24.2 1.0
C2 A:P20401 3.1 21.3 1.0
OE2 A:GLU270 3.2 20.8 1.0
CG A:GLU270 3.5 20.5 1.0
CD A:GLU270 3.5 20.4 1.0
C1 A:P20401 3.6 18.0 1.0
CD1 A:LEU203 3.9 25.7 1.0
C8 A:P20401 4.0 23.5 1.0
C4 A:P20401 4.0 21.3 1.0
CG1 A:ILE247 4.3 36.5 1.0
CD1 A:ILE247 4.3 41.2 1.0
OE1 A:GLU270 4.4 22.0 1.0
C13 A:P20401 4.5 22.6 1.0
C5 A:P20401 4.5 22.6 1.0
CG2 A:ILE247 4.5 37.6 1.0
S A:P20401 4.6 21.3 1.0
O A:HOH1441 4.8 42.9 1.0
O A:HOH1285 4.9 24.4 1.0
CG2 A:THR268 4.9 16.8 1.0
CB A:GLU270 4.9 19.4 1.0
O15 A:P20401 5.0 25.8 1.0

Chlorine binding site 2 out of 3 in 1zg7

Go back to Chlorine Binding Sites List in 1zg7
Chlorine binding site 2 out of 3 in the Crystal Structure of 2-(5-{[Amino(Imino)Methyl]Amino}-2- Chlorophenyl)-3-Sulfanylpropanoic Acid Bound to Activated Porcine Pancreatic Carboxypeptidase B


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 2-(5-{[Amino(Imino)Methyl]Amino}-2- Chlorophenyl)-3-Sulfanylpropanoic Acid Bound to Activated Porcine Pancreatic Carboxypeptidase B within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:31.4
occ:1.00
 CL16 B:P20501 0.0 31.4 1.0
C6 B:P20501 1.7 27.8 1.0
C7 B:P20501 2.7 23.6 1.0
C3 B:P20501 2.7 24.1 1.0
OE2 B:GLU270 3.0 27.1 1.0
C2 B:P20501 3.1 22.5 1.0
CG B:GLU270 3.4 22.7 1.0
CD B:GLU270 3.4 25.3 1.0
C1 B:P20501 3.5 25.5 1.0
C8 B:P20501 4.0 20.4 1.0
C4 B:P20501 4.0 22.2 1.0
CD1 B:LEU203 4.1 20.1 1.0
CD1 B:ILE247 4.1 30.9 1.0
OE1 B:GLU270 4.4 22.3 1.0
CG1 B:ILE247 4.4 31.2 1.0
C13 B:P20501 4.5 21.8 1.0
C5 B:P20501 4.5 20.5 1.0
S B:P20501 4.6 29.1 1.0
CG2 B:THR268 4.7 16.6 1.0
O B:HOH1050 4.7 21.7 1.0
CG2 B:ILE247 4.7 36.9 1.0
CB B:GLU270 4.9 21.9 1.0

Chlorine binding site 3 out of 3 in 1zg7

Go back to Chlorine Binding Sites List in 1zg7
Chlorine binding site 3 out of 3 in the Crystal Structure of 2-(5-{[Amino(Imino)Methyl]Amino}-2- Chlorophenyl)-3-Sulfanylpropanoic Acid Bound to Activated Porcine Pancreatic Carboxypeptidase B


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 2-(5-{[Amino(Imino)Methyl]Amino}-2- Chlorophenyl)-3-Sulfanylpropanoic Acid Bound to Activated Porcine Pancreatic Carboxypeptidase B within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl601

b:38.1
occ:1.00
 CL16 C:P20601 0.0 38.1 1.0
C6 C:P20601 1.7 34.8 1.0
C7 C:P20601 2.7 33.2 1.0
C3 C:P20601 2.7 31.1 1.0
C2 C:P20601 3.1 31.2 1.0
OE2 C:GLU270 3.3 40.7 1.0
CG C:GLU270 3.4 39.4 1.0
CD C:GLU270 3.5 40.6 1.0
C1 C:P20601 3.5 30.8 1.0
C8 C:P20601 4.0 32.2 1.0
C4 C:P20601 4.0 32.3 1.0
CD1 C:ILE247 4.2 44.0 1.0
OE1 C:GLU270 4.3 39.0 1.0
O C:HOH1535 4.3 36.4 1.0
CD2 C:LEU203 4.4 29.6 1.0
C5 C:P20601 4.5 33.1 1.0
CG1 C:ILE247 4.5 45.4 1.0
S C:P20601 4.6 29.9 1.0
C13 C:P20601 4.6 32.5 1.0
CG2 C:THR268 4.7 26.1 1.0
CG2 C:ILE247 4.8 48.6 1.0
CB C:GLU270 4.8 37.9 1.0
O C:HOH1368 4.9 34.6 1.0

Reference:

M.Adler, J.Bryant, B.Buckman, I.Islam, B.Larsen, S.Finster, L.Kent, K.May, R.Mohan, S.Yuan, M.Whitlow. Crystal Structures of Potent Thiol-Based Inhibitors Bound to Carboxypeptidase B. Biochemistry V. 44 9339 2005.
ISSN: ISSN 0006-2960
PubMed: 15982000
DOI: 10.1021/BI0501941
Page generated: Thu Jul 10 20:51:16 2025

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