Atomistry » Zinc » PDB 5jwl-5k8c » 5jxn
Atomistry »
  Zinc »
    PDB 5jwl-5k8c »
      5jxn »

Zinc in PDB 5jxn: Thermolysin in Complex with JC240.

Enzymatic activity of Thermolysin in Complex with JC240.

All present enzymatic activity of Thermolysin in Complex with JC240.:
3.4.24.27;

Protein crystallography data

The structure of Thermolysin in Complex with JC240., PDB code: 5jxn was solved by S.G.Krimmer, J.Cramer, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.51 / 1.38
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 93.014, 93.014, 131.203, 90.00, 90.00, 120.00
R / Rfree (%) 11 / 13.5

Other elements in 5jxn:

The structure of Thermolysin in Complex with JC240. also contains other interesting chemical elements:

Calcium (Ca) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Thermolysin in Complex with JC240. (pdb code 5jxn). 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 Thermolysin in Complex with JC240., PDB code: 5jxn:

Zinc binding site 1 out of 1 in 5jxn

Go back to Zinc Binding Sites List in 5jxn
Zinc binding site 1 out of 1 in the Thermolysin in Complex with JC240.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Thermolysin in Complex with JC240. within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Zn401

b:9.0
occ:1.00
O14 E:6NN411 2.0 9.0 1.0
OE2 E:GLU166 2.0 9.9 1.0
NE2 E:HIS142 2.0 9.4 1.0
NE2 E:HIS146 2.0 8.0 1.0
CD E:GLU166 2.8 8.7 1.0
CE1 E:HIS146 2.9 8.5 1.0
OE1 E:GLU166 3.0 9.0 1.0
P13 E:6NN411 3.0 10.6 1.0
CE1 E:HIS142 3.0 8.5 1.0
CD2 E:HIS142 3.0 8.9 1.0
HE1 E:HIS146 3.0 10.2 1.0
O15 E:6NN411 3.1 10.6 1.0
HH E:TYR157 3.1 12.8 1.0
CD2 E:HIS146 3.1 8.3 1.0
HD2 E:HIS142 3.2 10.7 1.0
HE1 E:HIS142 3.2 10.2 1.0
HE2 E:HIS231 3.3 11.8 1.0
HD2 E:HIS146 3.4 10.0 1.0
OH E:TYR157 3.8 10.7 1.0
HA E:GLU166 4.0 10.6 1.0
NE2 E:HIS231 4.0 9.8 1.0
HB2 E:SER169 4.1 11.1 1.0
ND1 E:HIS146 4.1 9.1 1.0
N16 E:6NN411 4.1 11.2 1.0
C17 E:6NN411 4.1 10.8 1.0
ND1 E:HIS142 4.1 8.4 1.0
CG E:HIS142 4.2 8.1 1.0
CG E:GLU166 4.2 9.1 1.0
HB3 E:SER169 4.2 11.1 1.0
CG E:HIS146 4.2 8.3 1.0
HE1 E:TYR157 4.3 11.4 1.0
HD2 E:HIS231 4.4 11.8 1.0
HG2 E:GLU166 4.4 10.9 1.0
C12 E:6NN411 4.5 12.9 1.0
CB E:SER169 4.5 9.3 1.0
C22 E:6NN411 4.5 11.1 1.0
N11 E:6NN411 4.5 14.5 0.6
C1 E:GOL409 4.6 17.7 1.0
CD2 E:HIS231 4.6 9.8 1.0
O23 E:6NN411 4.6 11.3 1.0
OG E:SER169 4.7 9.6 1.0
N11 E:6NN411 4.7 14.8 0.4
HG3 E:GLU166 4.7 10.9 1.0
O1 E:GOL409 4.8 12.0 1.0
OE1 E:GLU143 4.8 12.5 1.0
CZ E:TYR157 4.8 10.1 1.0
HH22 E:ARG203 4.8 11.3 1.0
HD1 E:HIS146 4.8 10.9 1.0
CA E:GLU166 4.9 8.8 1.0
HD1 E:HIS142 4.9 10.1 1.0
CE1 E:TYR157 4.9 9.5 1.0

Reference:

S.G.Krimmer, J.Cramer, M.Betz, V.Fridh, R.Karlsson, A.Heine, G.Klebe. Rational Design of Thermodynamic and Kinetic Binding Profiles By Optimizing Surface Water Networks Coating Protein-Bound Ligands. J. Med. Chem. V. 59 10530 2016.
ISSN: ISSN 1520-4804
PubMed: 27933956
DOI: 10.1021/ACS.JMEDCHEM.6B00998
Page generated: Wed Dec 16 06:25:58 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