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Zinc in PDB 1txr: X-Ray Crystal Structure of Bestatin Bound to Aap

Enzymatic activity of X-Ray Crystal Structure of Bestatin Bound to Aap

All present enzymatic activity of X-Ray Crystal Structure of Bestatin Bound to Aap:
3.4.11.10;

Protein crystallography data

The structure of X-Ray Crystal Structure of Bestatin Bound to Aap, PDB code: 1txr was solved by C.C.Stamper, R.C.Holz, D.Ringe, G.A.Petsko, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 2.00
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 107.800, 107.800, 102.600, 90.00, 90.00, 120.00
R / Rfree (%) 19.5 / 24.5

Zinc Binding Sites:

The binding sites of Zinc atom in the X-Ray Crystal Structure of Bestatin Bound to Aap (pdb code 1txr). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the X-Ray Crystal Structure of Bestatin Bound to Aap, PDB code: 1txr:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 1txr

Go back to Zinc Binding Sites List in 1txr
Zinc binding site 1 out of 2 in the X-Ray Crystal Structure of Bestatin Bound to Aap


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of X-Ray Crystal Structure of Bestatin Bound to Aap within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn501

b:13.0
occ:1.00
OD2 A:ASP117 2.0 8.2 1.0
O2 A:BES503 2.1 9.7 1.0
NE2 A:HIS256 2.1 14.6 1.0
OE2 A:GLU152 2.1 10.1 1.0
O3 A:BES503 2.3 15.7 1.0
OE1 A:GLU152 2.3 8.3 1.0
CD A:GLU152 2.5 6.2 1.0
C2 A:BES503 2.9 12.7 1.0
CE1 A:HIS256 2.9 17.3 1.0
C3 A:BES503 2.9 15.0 1.0
CG A:ASP117 3.1 11.7 1.0
CD2 A:HIS256 3.2 13.8 1.0
OD1 A:ASP117 3.5 13.6 1.0
ZN A:ZN502 3.5 13.5 1.0
C1 A:BES503 3.5 12.5 1.0
CG A:GLU152 4.0 7.8 1.0
ND1 A:HIS256 4.1 17.1 1.0
O A:HOH556 4.1 15.8 1.0
OE1 A:GLU151 4.1 10.7 1.0
N1 A:BES503 4.3 14.6 1.0
CG A:HIS256 4.3 13.1 1.0
N2 A:BES503 4.3 11.3 1.0
CB A:ASP117 4.4 9.8 1.0
O A:HOH517 4.4 13.0 1.0
NE2 A:HIS97 4.6 10.5 1.0
CE1 A:HIS97 4.6 10.2 1.0
CG2 A:THR101 4.8 13.1 1.0
CD1 A:ILE255 4.8 11.4 1.0
C6 A:BES503 4.9 16.3 1.0
CB A:GLU152 4.9 9.1 1.0

Zinc binding site 2 out of 2 in 1txr

Go back to Zinc Binding Sites List in 1txr
Zinc binding site 2 out of 2 in the X-Ray Crystal Structure of Bestatin Bound to Aap


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of X-Ray Crystal Structure of Bestatin Bound to Aap within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn502

b:13.5
occ:1.00
O2 A:BES503 1.9 9.7 1.0
OD1 A:ASP117 2.0 13.6 1.0
OD1 A:ASP179 2.2 11.6 1.0
NE2 A:HIS97 2.2 10.5 1.0
N2 A:BES503 2.3 11.3 1.0
OD2 A:ASP179 2.4 11.8 1.0
CG A:ASP179 2.6 11.3 1.0
C2 A:BES503 2.7 12.7 1.0
CG A:ASP117 2.9 11.7 1.0
C1 A:BES503 2.9 12.5 1.0
CE1 A:HIS97 3.2 10.2 1.0
OD2 A:ASP117 3.2 8.2 1.0
CD2 A:HIS97 3.2 5.6 1.0
ZN A:ZN501 3.5 13.0 1.0
OE2 A:GLU152 3.9 10.1 1.0
OE1 A:GLU151 3.9 10.7 1.0
CB A:ASP179 4.1 10.6 1.0
CB A:ASP118 4.1 6.8 1.0
C3 A:BES503 4.1 15.0 1.0
CB A:ASP117 4.2 9.8 1.0
ND1 A:HIS97 4.3 9.2 1.0
C6 A:BES503 4.3 16.3 1.0
CG A:HIS97 4.3 9.7 1.0
CD A:GLU151 4.4 10.7 1.0
OE2 A:GLU151 4.5 10.7 1.0
CA A:ASP117 4.6 8.8 1.0
O3 A:BES503 4.6 15.7 1.0
CD A:GLU152 4.7 6.2 1.0
CG A:ASP118 4.7 9.9 1.0
OG A:SER228 4.8 8.1 1.0
CA A:ASP179 4.8 10.8 1.0
SD A:MET180 4.8 12.0 1.0
C A:ASP117 4.8 8.2 1.0
CG A:MET180 4.9 5.2 1.0
CA A:ASP118 5.0 9.1 1.0
OE1 A:GLU152 5.0 8.3 1.0
N A:ASP118 5.0 8.0 1.0

Reference:

C.C.Stamper, D.L.Bienvenue, B.Bennett, D.Ringe, G.A.Petsko, R.C.Holz. Spectroscopic and X-Ray Crystallographic Characterization of Bestatin Bound to the Aminopeptidase From Aeromonas (Vibrio) Proteolytica. Biochemistry V. 43 9620 2004.
ISSN: ISSN 0006-2960
PubMed: 15274616
DOI: 10.1021/BI049126P
Page generated: Wed Oct 16 19:21:43 2024

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