Atomistry » Zinc » PDB 1aye-1biw » 1bav
Atomistry »
  Zinc »
    PDB 1aye-1biw »
      1bav »

Zinc in PDB 1bav: Carboxypeptidase A Complexed with 2-Benzyl-3-Iodo-Propanoic Acid (Bip)

Enzymatic activity of Carboxypeptidase A Complexed with 2-Benzyl-3-Iodo-Propanoic Acid (Bip)

All present enzymatic activity of Carboxypeptidase A Complexed with 2-Benzyl-3-Iodo-Propanoic Acid (Bip):
3.4.17.1;

Protein crystallography data

The structure of Carboxypeptidase A Complexed with 2-Benzyl-3-Iodo-Propanoic Acid (Bip), PDB code: 1bav was solved by P.Martin, B.Edwards, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 1.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 105.700, 60.500, 91.800, 90.00, 97.20, 90.00
R / Rfree (%) 17.2 / 21.3

Zinc Binding Sites:

The binding sites of Zinc atom in the Carboxypeptidase A Complexed with 2-Benzyl-3-Iodo-Propanoic Acid (Bip) (pdb code 1bav). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Carboxypeptidase A Complexed with 2-Benzyl-3-Iodo-Propanoic Acid (Bip), PDB code: 1bav:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 1bav

Go back to Zinc Binding Sites List in 1bav
Zinc binding site 1 out of 4 in the Carboxypeptidase A Complexed with 2-Benzyl-3-Iodo-Propanoic Acid (Bip)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Carboxypeptidase A Complexed with 2-Benzyl-3-Iodo-Propanoic Acid (Bip) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn310

b:8.9
occ:1.00
O A:HOH398 2.1 1.1 1.0
ND1 A:HIS69 2.2 2.0 1.0
OE2 A:GLU72 2.2 9.2 1.0
OE1 A:GLU72 2.4 9.0 1.0
ND1 A:HIS196 2.5 16.0 1.0
CD A:GLU72 2.6 9.8 1.0
CE1 A:HIS69 3.1 2.5 1.0
CG A:HIS69 3.1 2.0 1.0
CG A:HIS196 3.2 14.6 1.0
CB A:HIS196 3.3 10.2 1.0
CB A:HIS69 3.5 2.1 1.0
CE1 A:HIS196 3.5 18.8 1.0
O A:SER197 4.0 4.2 1.0
O2 A:BIP311 4.0 9.3 1.0
O A:HOH396 4.1 4.5 1.0
CG A:GLU72 4.1 6.5 1.0
NE2 A:HIS69 4.2 2.0 1.0
CD2 A:HIS69 4.2 2.0 1.0
O A:HOH412 4.3 26.2 1.0
CA A:HIS196 4.3 5.9 1.0
C3 A:BIP311 4.3 11.0 1.0
CD2 A:HIS196 4.3 16.2 1.0
N A:SER197 4.4 4.3 1.0
NE2 A:HIS196 4.5 15.8 1.0
C1 A:BIP311 4.5 8.0 1.0
OE1 A:GLU270 4.5 11.6 1.0
NH2 A:ARG127 4.6 24.2 1.0
CA A:HIS69 4.8 2.6 1.0
C2 A:BIP311 4.9 8.1 1.0
C A:HIS196 4.9 4.3 1.0
N A:HIS69 5.0 2.7 1.0

Zinc binding site 2 out of 4 in 1bav

Go back to Zinc Binding Sites List in 1bav
Zinc binding site 2 out of 4 in the Carboxypeptidase A Complexed with 2-Benzyl-3-Iodo-Propanoic Acid (Bip)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Carboxypeptidase A Complexed with 2-Benzyl-3-Iodo-Propanoic Acid (Bip) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn310

b:12.1
occ:1.00
O B:HOH379 1.8 10.1 1.0
OE2 B:GLU72 2.2 4.4 1.0
ND1 B:HIS196 2.3 2.0 1.0
OE1 B:GLU72 2.4 7.4 1.0
CD B:GLU72 2.6 8.5 1.0
ND1 B:HIS69 2.7 15.0 1.0
CE1 B:HIS196 3.2 2.0 1.0
CB B:HIS69 3.3 10.3 1.0
CG B:HIS196 3.3 4.6 1.0
CG B:HIS69 3.3 12.8 1.0
O2 B:BIP311 3.5 22.7 1.0
CB B:HIS196 3.6 5.4 1.0
O B:SER197 3.7 11.2 1.0
O B:HOH377 3.8 19.5 1.0
CE1 B:HIS69 3.8 16.3 1.0
O B:HOH361 4.1 15.5 1.0
C1 B:BIP311 4.1 14.5 1.0
CG B:GLU72 4.1 4.3 1.0
C3 B:BIP311 4.3 12.8 1.0
NE2 B:HIS196 4.3 2.0 1.0
NH2 B:ARG127 4.4 23.3 1.0
CD2 B:HIS196 4.4 2.0 1.0
CA B:HIS196 4.4 6.7 1.0
OE1 B:GLU270 4.5 8.6 1.0
N B:SER197 4.5 8.3 1.0
CD2 B:HIS69 4.6 15.0 1.0
O1 B:BIP311 4.6 14.1 1.0
C2 B:BIP311 4.6 14.2 1.0
CA B:HIS69 4.7 6.2 1.0
NE2 B:HIS69 4.8 15.4 1.0
C B:SER197 4.9 10.8 1.0
N B:HIS69 4.9 3.4 1.0

Zinc binding site 3 out of 4 in 1bav

Go back to Zinc Binding Sites List in 1bav
Zinc binding site 3 out of 4 in the Carboxypeptidase A Complexed with 2-Benzyl-3-Iodo-Propanoic Acid (Bip)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Carboxypeptidase A Complexed with 2-Benzyl-3-Iodo-Propanoic Acid (Bip) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn310

b:6.9
occ:1.00
O C:HOH391 2.0 2.3 1.0
ND1 C:HIS196 2.1 4.7 1.0
OE2 C:GLU72 2.1 7.8 1.0
ND1 C:HIS69 2.2 6.1 1.0
OE1 C:GLU72 2.5 9.7 1.0
CD C:GLU72 2.7 8.4 1.0
CG C:HIS196 3.1 4.4 1.0
CE1 C:HIS69 3.1 5.5 1.0
CE1 C:HIS196 3.1 4.1 1.0
CG C:HIS69 3.1 6.3 1.0
CB C:HIS196 3.3 4.3 1.0
CB C:HIS69 3.4 5.9 1.0
O2 C:BIP311 3.4 36.3 1.0
O C:SER197 3.9 5.0 1.0
O C:HOH384 4.1 10.8 1.0
CG C:GLU72 4.1 4.5 1.0
NE2 C:HIS69 4.1 6.3 1.0
NE2 C:HIS196 4.2 4.4 1.0
CD2 C:HIS196 4.2 2.5 1.0
C3 C:BIP311 4.2 30.9 1.0
CD2 C:HIS69 4.2 4.3 1.0
C1 C:BIP311 4.2 35.4 1.0
O C:HOH400 4.2 6.8 1.0
CA C:HIS196 4.3 4.5 1.0
N C:SER197 4.5 4.7 1.0
OE1 C:GLU270 4.6 25.5 1.0
NH2 C:ARG127 4.7 23.3 1.0
C2 C:BIP311 4.8 32.5 1.0
CA C:HIS69 4.8 5.1 1.0
O1 C:BIP311 4.9 37.4 1.0
C C:HIS196 5.0 4.9 1.0

Zinc binding site 4 out of 4 in 1bav

Go back to Zinc Binding Sites List in 1bav
Zinc binding site 4 out of 4 in the Carboxypeptidase A Complexed with 2-Benzyl-3-Iodo-Propanoic Acid (Bip)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Carboxypeptidase A Complexed with 2-Benzyl-3-Iodo-Propanoic Acid (Bip) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn310

b:12.8
occ:1.00
O D:HOH368 1.9 12.9 1.0
ND1 D:HIS196 2.2 5.5 1.0
ND1 D:HIS69 2.2 5.1 1.0
OE1 D:GLU72 2.4 5.0 1.0
OE2 D:GLU72 2.4 4.3 1.0
CD D:GLU72 2.7 5.8 1.0
CE1 D:HIS196 3.1 6.6 1.0
CG D:HIS196 3.1 6.1 1.0
CG D:HIS69 3.1 5.5 1.0
CE1 D:HIS69 3.2 4.3 1.0
CB D:HIS69 3.4 6.0 1.0
CB D:HIS196 3.5 6.0 1.0
O D:HOH371 3.9 3.9 1.0
O D:SER197 4.0 9.3 1.0
O1 D:BIP311 4.2 8.3 1.0
NE2 D:HIS196 4.2 3.0 1.0
CG D:GLU72 4.2 5.0 1.0
CD2 D:HIS196 4.2 7.0 1.0
C3 D:BIP311 4.3 8.0 1.0
CD2 D:HIS69 4.3 4.7 1.0
NE2 D:HIS69 4.3 3.0 1.0
CA D:HIS196 4.4 5.8 1.0
O D:HOH353 4.4 18.0 1.0
C1 D:BIP311 4.5 11.7 1.0
OE1 D:GLU270 4.5 5.7 1.0
N D:SER197 4.6 6.7 1.0
CA D:HIS69 4.8 4.7 1.0
C2 D:BIP311 4.9 8.6 1.0
O D:HOH372 4.9 40.2 1.0
NH2 D:ARG127 4.9 27.5 1.0

Reference:

I.Massova, P.Martin, S.Demel, Y.Tanaka, B.Edwards, S.Mobashery. Crystallographic and Computational Insight on the Mechanism of Zinc-Ion-Dependent Inactivation of Carboxypeptidase A By 2-Benzyl-3-Iodopropanoate. J.Am.Chem.Soc. V. 118 12479 1996.
ISSN: ISSN 0002-7863
Page generated: Wed Dec 16 02:45:29 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