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Zinc in PDB 2oi0: Crystal Structure Analysis 0F the Tnf-A Coverting Enzyme (Tace) in Complexed with Aryl-Sulfonamide

Enzymatic activity of Crystal Structure Analysis 0F the Tnf-A Coverting Enzyme (Tace) in Complexed with Aryl-Sulfonamide

All present enzymatic activity of Crystal Structure Analysis 0F the Tnf-A Coverting Enzyme (Tace) in Complexed with Aryl-Sulfonamide:
3.4.24.86;

Protein crystallography data

The structure of Crystal Structure Analysis 0F the Tnf-A Coverting Enzyme (Tace) in Complexed with Aryl-Sulfonamide, PDB code: 2oi0 was solved by Y.Wei, G.B.Rao, U.K.Bandarage, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 18.87 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 56.550, 50.060, 42.980, 90.00, 92.58, 90.00
R / Rfree (%) 25.4 / 30.5

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure Analysis 0F the Tnf-A Coverting Enzyme (Tace) in Complexed with Aryl-Sulfonamide (pdb code 2oi0). 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 Analysis 0F the Tnf-A Coverting Enzyme (Tace) in Complexed with Aryl-Sulfonamide, PDB code: 2oi0:

Zinc binding site 1 out of 1 in 2oi0

Go back to Zinc Binding Sites List in 2oi0
Zinc binding site 1 out of 1 in the Crystal Structure Analysis 0F the Tnf-A Coverting Enzyme (Tace) in Complexed with Aryl-Sulfonamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure Analysis 0F the Tnf-A Coverting Enzyme (Tace) in Complexed with Aryl-Sulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn2

b:26.4
occ:1.00
 NE2 A:HIS405 2.0 17.4 1.0
NE2 A:HIS415 2.2 25.6 1.0
NE2 A:HIS409 2.2 20.1 1.0
S1 A:2831 2.2 37.7 1.0
CD2 A:HIS415 3.0 24.1 1.0
CE1 A:HIS405 3.0 20.2 1.0
CD2 A:HIS405 3.0 17.0 1.0
C11 A:2831 3.1 40.5 1.0
CD2 A:HIS409 3.1 19.8 1.0
C12 A:2831 3.1 37.8 1.0
CE1 A:HIS409 3.3 19.6 1.0
CE1 A:HIS415 3.3 25.5 1.0
O A:HOH600 3.9 25.0 1.0
ND1 A:HIS405 4.1 20.0 1.0
CG A:HIS405 4.2 16.8 1.0
CG A:HIS415 4.2 26.9 1.0
C13 A:2831 4.3 37.8 1.0
CG A:HIS409 4.3 18.1 1.0
ND1 A:HIS415 4.3 27.2 1.0
ND1 A:HIS409 4.3 19.1 1.0
OE1 A:GLU406 4.5 20.9 1.0
N A:2831 4.6 38.1 1.0
O A:HOH564 4.7 44.0 1.0
OE2 A:GLU406 4.8 23.6 1.0
CE A:MET435 4.9 23.2 1.0
C2 A:2831 4.9 32.1 1.0

Reference:

B.Govinda Rao, U.K.Bandarage, T.Wang, J.H.Come, E.Perola, Y.Wei, S.K.Tian, J.O.Saunders. Novel Thiol-Based Tace Inhibitors: Rational Design, Synthesis, and Sar of Thiol-Containing Aryl Sulfonamides Bioorg.Med.Chem.Lett. V. 17 2250 2007.
ISSN: ISSN 0960-894X
PubMed: 17289381
DOI: 10.1016/J.BMCL.2007.01.064
Page generated: Wed Dec 16 03:46:07 2020

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