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Zinc in PDB 2yb9: Crystal Structure of Human Neutral Endopeptidase Complexed with A Heteroarylalanine Diacid.

Enzymatic activity of Crystal Structure of Human Neutral Endopeptidase Complexed with A Heteroarylalanine Diacid.

All present enzymatic activity of Crystal Structure of Human Neutral Endopeptidase Complexed with A Heteroarylalanine Diacid.:
3.4.24.11;

Protein crystallography data

The structure of Crystal Structure of Human Neutral Endopeptidase Complexed with A Heteroarylalanine Diacid., PDB code: 2yb9 was solved by M.S.Glossop, R.J.Bazin, K.N.Dack, S.Done, D.N.A.Fox, G.A.Macdonald, M.Mills, D.R.Owen, C.Phillips, K.A.Reeves, T.J.Ringer, R.S.Strang, C.A.L.Watson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.13 / 2.40
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 107.841, 107.841, 112.794, 90.00, 90.00, 120.00
R / Rfree (%) 17.23 / 24.3

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Neutral Endopeptidase Complexed with A Heteroarylalanine Diacid. (pdb code 2yb9). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of Human Neutral Endopeptidase Complexed with A Heteroarylalanine Diacid., PDB code: 2yb9:

Zinc binding site 1 out of 1 in 2yb9

Go back to Zinc Binding Sites List in 2yb9
Zinc binding site 1 out of 1 in the Crystal Structure of Human Neutral Endopeptidase Complexed with A Heteroarylalanine Diacid.


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 Human Neutral Endopeptidase Complexed with A Heteroarylalanine Diacid. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1750

b:21.5
occ:1.00
 OE1 A:GLU646 1.9 12.1 1.0
NE2 A:HIS583 2.0 17.9 1.0
NE2 A:HIS587 2.0 21.3 1.0
OG2 A:HA01751 2.1 21.8 1.0
OG1 A:HA01751 2.6 23.9 1.0
CB2 A:HA01751 2.6 22.4 1.0
CD A:GLU646 2.8 22.1 1.0
CD2 A:HIS583 2.9 18.1 1.0
OE2 A:GLU646 3.0 24.0 1.0
CD2 A:HIS587 3.0 21.4 1.0
CE1 A:HIS587 3.0 21.0 1.0
CE1 A:HIS583 3.1 17.4 1.0
NE2 A:HIS711 3.7 19.4 1.0
CA A:HA01751 4.0 20.9 1.0
C4 A:HA01751 4.1 21.7 1.0
CG A:HIS583 4.1 17.1 1.0
CG A:HIS587 4.1 20.3 1.0
ND1 A:HIS587 4.2 21.5 1.0
ND1 A:HIS583 4.2 18.8 1.0
CG A:GLU646 4.2 23.7 1.0
CD2 A:HIS711 4.2 19.6 1.0
OE2 A:GLU584 4.6 13.9 1.0
CB A:ALA649 4.6 15.4 1.0
CB A:GLU646 4.7 16.3 1.0
CA A:GLU646 4.7 14.5 1.0
CH2 A:HA01751 4.7 22.7 1.0
OE1 A:GLU584 4.8 22.9 1.0
CE1 A:HIS711 4.8 19.2 1.0
CA1 A:HA01751 4.9 22.8 1.0
O A:HA01751 4.9 27.4 1.0
O A:HOH2366 5.0 27.8 1.0
CB1 A:HA01751 5.0 19.0 1.0

Reference:

M.S.Glossop, R.J.Bazin, K.N.Dack, D.N.A.Fox, G.A.Macdonald, M.Mills, D.R.Owen, C.Phillips, K.A.Reeves, T.J.Ringer, R.S.Strang, C.A.L.Watson. Synthesis and Evaluation of Heteroarylalanine Diacids As Potent and Selective Neutral Endopeptidase Inhibitors. Bioorg.Med.Chem.Lett. V. 21 3404 2011.
ISSN: ISSN 0960-894X
PubMed: 21515054
DOI: 10.1016/J.BMCL.2011.03.109
Page generated: Thu Oct 17 05:47:41 2024

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