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Zinc 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:

Chlorine (Cl) 3 atoms

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total 3 binding sites of Zinc 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 Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in 1zg7

Go back to Zinc Binding Sites List in 1zg7
Zinc 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 Zinc with other atoms in the Zn 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:Zn400

b:25.7
occ:1.00
 ND1 A:HIS69 2.0 20.2 1.0
ND1 A:HIS196 2.1 22.5 1.0
OE1 A:GLU72 2.3 19.6 1.0
S A:P20401 2.3 21.3 1.0
OE2 A:GLU72 2.4 22.1 1.0
CD A:GLU72 2.7 21.8 1.0
CE1 A:HIS69 2.9 17.4 1.0
CG A:HIS69 3.1 17.6 1.0
CE1 A:HIS196 3.1 18.7 1.0
CG A:HIS196 3.1 18.6 1.0
C1 A:P20401 3.2 18.0 1.0
CB A:HIS196 3.5 19.0 1.0
CB A:HIS69 3.5 15.7 1.0
O A:HOH1060 4.0 16.3 1.0
NE2 A:HIS69 4.1 18.6 1.0
CG A:GLU72 4.2 20.6 1.0
CD2 A:HIS69 4.2 17.5 1.0
NE2 A:HIS196 4.2 23.7 1.0
CD2 A:HIS196 4.3 17.4 1.0
NH1 A:ARG127 4.3 22.3 1.0
O A:HOH1285 4.3 24.4 1.0
O A:HOH1098 4.4 22.8 1.0
O A:SER197 4.4 19.8 1.0
CA A:HIS196 4.4 20.0 1.0
C2 A:P20401 4.6 21.3 1.0
O14 A:P20401 4.7 24.1 1.0
N A:HIS69 4.7 18.9 1.0
CA A:HIS69 4.7 17.6 1.0
N A:SER197 4.8 19.5 1.0
C13 A:P20401 4.8 22.6 1.0
OE1 A:GLU270 4.9 22.0 1.0
CB A:GLU72 5.0 18.0 1.0

Zinc binding site 2 out of 3 in 1zg7

Go back to Zinc Binding Sites List in 1zg7
Zinc 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 Zinc with other atoms in the Zn 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:Zn500

b:25.4
occ:1.00
 ND1 B:HIS196 2.1 18.4 1.0
ND1 B:HIS69 2.1 19.3 1.0
S B:P20501 2.2 29.1 1.0
OE1 B:GLU72 2.4 25.6 1.0
OE2 B:GLU72 2.5 22.8 1.0
CD B:GLU72 2.8 22.7 1.0
CE1 B:HIS69 3.0 21.6 1.0
C1 B:P20501 3.0 25.5 1.0
CG B:HIS196 3.1 19.6 1.0
CE1 B:HIS196 3.1 17.0 1.0
CG B:HIS69 3.2 19.3 1.0
CB B:HIS196 3.4 16.6 1.0
CB B:HIS69 3.6 17.4 1.0
O B:HOH1003 4.2 16.2 1.0
NE2 B:HIS69 4.2 18.6 1.0
NH1 B:ARG127 4.2 21.4 1.0
CD2 B:HIS196 4.2 18.1 1.0
NE2 B:HIS196 4.3 19.3 1.0
O B:HOH1050 4.3 21.7 1.0
CG B:GLU72 4.3 20.1 1.0
O B:HOH1551 4.3 32.8 1.0
CD2 B:HIS69 4.3 17.3 1.0
CA B:HIS196 4.4 17.9 1.0
O B:SER197 4.4 21.8 1.0
C2 B:P20501 4.4 22.5 1.0
O14 B:P20501 4.6 20.8 1.0
C13 B:P20501 4.7 21.8 1.0
N B:SER197 4.7 19.3 1.0
CA B:HIS69 4.9 20.2 1.0
N B:HIS69 5.0 19.9 1.0

Zinc binding site 3 out of 3 in 1zg7

Go back to Zinc Binding Sites List in 1zg7
Zinc 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 Zinc with other atoms in the Zn 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:Zn600

b:28.4
occ:1.00
 ND1 C:HIS196 2.0 17.7 1.0
ND1 C:HIS69 2.1 26.5 1.0
S C:P20601 2.3 29.9 1.0
OE1 C:GLU72 2.3 25.3 1.0
OE2 C:GLU72 2.3 23.3 1.0
CD C:GLU72 2.6 22.0 1.0
CE1 C:HIS196 3.0 23.6 1.0
CE1 C:HIS69 3.0 28.4 1.0
CG C:HIS196 3.0 22.6 1.0
CG C:HIS69 3.2 27.6 1.0
C1 C:P20601 3.2 30.8 1.0
CB C:HIS196 3.4 26.2 1.0
CB C:HIS69 3.6 24.1 1.0
O C:HOH1420 3.9 25.1 1.0
CG C:GLU72 4.1 24.0 1.0
NH1 C:ARG127 4.1 25.8 1.0
NE2 C:HIS196 4.1 22.4 1.0
CD2 C:HIS196 4.2 22.0 1.0
NE2 C:HIS69 4.2 30.1 1.0
O C:HOH1368 4.2 34.6 1.0
CA C:HIS196 4.3 28.2 1.0
CD2 C:HIS69 4.3 26.7 1.0
O C:SER197 4.4 32.5 1.0
N C:SER197 4.5 29.6 1.0
C2 C:P20601 4.5 31.2 1.0
O C:HOH1526 4.6 33.8 1.0
O14 C:P20601 4.7 32.5 1.0
N C:HIS69 4.7 22.1 1.0
C13 C:P20601 4.7 32.5 1.0
CA C:HIS69 4.8 22.3 1.0
OE1 C:GLU270 4.9 39.0 1.0
CB C:GLU72 5.0 25.4 1.0
C C:HIS196 5.0 27.4 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: Wed Oct 16 21:14:39 2024

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