Atomistry » Zinc » PDB 3kee-3kr4 » 3kmc
Atomistry »
  Zinc »
    PDB 3kee-3kr4 »
      3kmc »

Zinc in PDB 3kmc: Crystal Structure of Catalytic Domain of Tace with Tartrate-Based Inhibitor

Enzymatic activity of Crystal Structure of Catalytic Domain of Tace with Tartrate-Based Inhibitor

All present enzymatic activity of Crystal Structure of Catalytic Domain of Tace with Tartrate-Based Inhibitor:
3.4.24.86;

Protein crystallography data

The structure of Crystal Structure of Catalytic Domain of Tace with Tartrate-Based Inhibitor, PDB code: 3kmc was solved by P.Orth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.16 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 74.313, 76.103, 103.768, 90.00, 90.00, 90.00
R / Rfree (%) 22.4 / 25.9

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Catalytic Domain of Tace with Tartrate-Based Inhibitor (pdb code 3kmc). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Catalytic Domain of Tace with Tartrate-Based Inhibitor, PDB code: 3kmc:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 3kmc

Go back to Zinc Binding Sites List in 3kmc
Zinc binding site 1 out of 2 in the Crystal Structure of Catalytic Domain of Tace with Tartrate-Based Inhibitor


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 Catalytic Domain of Tace with Tartrate-Based Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1

b:24.2
occ:1.00
NE2 A:HIS415 2.0 23.2 1.0
NE2 A:HIS405 2.1 21.9 1.0
NE2 A:HIS409 2.1 21.8 1.0
O4 A:INN485 2.1 24.3 1.0
O A:INN485 2.2 25.4 1.0
O A:HOH493 2.2 30.9 1.0
C A:INN485 2.8 25.9 1.0
CE1 A:HIS415 2.9 23.4 1.0
CD2 A:HIS405 3.0 22.4 1.0
CD2 A:HIS409 3.0 22.2 1.0
N A:INN485 3.0 26.8 1.0
CD2 A:HIS415 3.0 23.5 1.0
CE1 A:HIS405 3.1 21.5 1.0
CE1 A:HIS409 3.2 22.1 1.0
O A:HOH490 3.9 24.6 1.0
ND1 A:HIS415 4.1 24.5 1.0
CG A:HIS415 4.1 23.1 1.0
CG A:HIS405 4.2 21.2 1.0
CG A:HIS409 4.2 21.1 1.0
C0 A:INN485 4.2 27.3 1.0
ND1 A:HIS405 4.2 22.4 1.0
ND1 A:HIS409 4.3 22.2 1.0
O A:HOH167 4.4 20.9 1.0
OE1 A:GLU406 4.5 21.8 1.0
O A:HOH495 4.6 40.0 1.0
CA A:INN485 4.6 32.9 1.0
OE2 A:GLU406 4.6 21.2 1.0
CB A:INN485 4.7 29.9 1.0
CE A:MET435 4.8 18.9 1.0
CD A:GLU406 5.0 19.2 1.0

Zinc binding site 2 out of 2 in 3kmc

Go back to Zinc Binding Sites List in 3kmc
Zinc binding site 2 out of 2 in the Crystal Structure of Catalytic Domain of Tace with Tartrate-Based Inhibitor


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 Catalytic Domain of Tace with Tartrate-Based Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn2

b:24.0
occ:1.00
NE2 B:HIS415 2.1 24.9 1.0
O21 B:403485 2.1 29.3 1.0
NE2 B:HIS405 2.1 23.4 1.0
NE2 B:HIS409 2.1 24.0 1.0
O22 B:403485 2.3 30.1 1.0
O10 B:403485 2.4 39.4 1.0
C1 B:403485 2.8 34.6 1.0
C2 B:403485 2.9 38.8 1.0
CD2 B:HIS405 3.0 23.8 1.0
CD2 B:HIS415 3.0 24.6 1.0
CE1 B:HIS415 3.0 24.8 1.0
CD2 B:HIS409 3.1 24.5 1.0
C3 B:403485 3.1 32.6 1.0
CE1 B:HIS409 3.2 23.7 1.0
CE1 B:HIS405 3.2 23.0 1.0
O B:HOH562 4.0 31.5 1.0
N20 B:403485 4.1 31.4 1.0
C6 B:403485 4.1 33.4 1.0
CG B:HIS415 4.2 23.5 1.0
ND1 B:HIS415 4.2 25.4 1.0
CG B:HIS405 4.2 21.0 1.0
CG B:HIS409 4.2 23.2 1.0
N4 B:403485 4.2 39.1 1.0
ND1 B:HIS405 4.3 23.5 1.0
ND1 B:HIS409 4.3 24.4 1.0
O B:HOH553 4.4 41.5 1.0
OE2 B:GLU406 4.5 20.2 1.0
O B:HOH566 4.6 39.0 1.0
OE1 B:GLU406 4.6 22.0 1.0
CE B:MET435 4.8 20.9 1.0
CD B:GLU406 4.9 25.4 1.0

Reference:

K.E.Rosner, Z.Guo, P.Orth, G.W.Shipps, D.B.Belanger, T.Y.Chan, P.J.Curran, C.Dai, Y.Deng, V.M.Girijavallabhan, L.Hong, B.J.Lavey, J.F.Lee, D.Li, Z.Liu, J.Popovici-Muller, P.C.Ting, H.Vaccaro, L.Wang, T.Wang, W.Yu, G.Zhou, X.Niu, J.Sun, J.A.Kozlowski, D.J.Lundell, V.Madison, B.Mckittrick, J.J.Piwinski, N.Y.Shih, M.Arshad Siddiqui, C.O.Strickland. The Discovery of Novel Tartrate-Based Tnf-Alpha Converting Enzyme (Tace) Inhibitors. Bioorg.Med.Chem.Lett. V. 20 1189 2009.
ISSN: ISSN 0960-894X
PubMed: 20022498
DOI: 10.1016/J.BMCL.2009.12.004
Page generated: Wed Dec 16 04:30:29 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy