Atomistry » Zinc » PDB 3f7k-3fkg » 3fgd
Atomistry »
  Zinc »
    PDB 3f7k-3fkg »
      3fgd »

Zinc in PDB 3fgd: Drugscore Fp: Thermoylsin in Complex with Fragment.

Enzymatic activity of Drugscore Fp: Thermoylsin in Complex with Fragment.

All present enzymatic activity of Drugscore Fp: Thermoylsin in Complex with Fragment.:
3.4.24.27;

Protein crystallography data

The structure of Drugscore Fp: Thermoylsin in Complex with Fragment., PDB code: 3fgd was solved by L.Englert, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.33
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 92.600, 92.600, 128.673, 90.00, 90.00, 120.00
R / Rfree (%) 14.8 / 21.7

Other elements in 3fgd:

The structure of Drugscore Fp: Thermoylsin in Complex with Fragment. also contains other interesting chemical elements:

Calcium (Ca) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Drugscore Fp: Thermoylsin in Complex with Fragment. (pdb code 3fgd). 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 Drugscore Fp: Thermoylsin in Complex with Fragment., PDB code: 3fgd:

Zinc binding site 1 out of 1 in 3fgd

Go back to Zinc Binding Sites List in 3fgd
Zinc binding site 1 out of 1 in the Drugscore Fp: Thermoylsin in Complex with Fragment.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Drugscore Fp: Thermoylsin in Complex with Fragment. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn321

b:8.5
occ:1.00
O3 A:BYA322 2.0 10.4 1.0
OE2 A:GLU166 2.0 8.5 1.0
NE2 A:HIS142 2.0 6.8 1.0
NE2 A:HIS146 2.0 8.2 1.0
O1 A:BYA322 2.6 12.3 1.0
C2 A:BYA322 2.7 10.5 1.0
CD A:GLU166 2.9 7.9 1.0
CE1 A:HIS146 2.9 8.6 1.0
CD2 A:HIS142 3.0 7.7 1.0
CE1 A:HIS142 3.0 7.5 1.0
OE1 A:GLU166 3.0 8.2 1.0
CD2 A:HIS146 3.1 7.9 1.0
OH A:TYR157 3.8 10.7 1.0
CE1 A:HIS231 4.1 7.5 1.0
ND1 A:HIS146 4.1 8.2 1.0
ND1 A:HIS142 4.1 7.3 1.0
C4 A:BYA322 4.1 13.3 1.0
CG A:HIS142 4.1 6.9 1.0
CG A:HIS146 4.2 8.4 1.0
O8 A:BYA322 4.3 16.8 1.0
CG A:GLU166 4.3 7.9 1.0
O A:HOH1526 4.4 23.5 1.0
O A:HOH1676 4.4 11.3 1.0
CB A:SER169 4.5 8.0 1.0
ND1 A:HIS231 4.7 10.7 1.0
OE1 A:GLU143 4.7 10.1 1.0
OG A:SER169 4.7 8.3 1.0
C5 A:BYA322 4.8 13.0 1.0
CZ A:TYR157 4.8 10.0 1.0
OE2 A:GLU143 4.9 10.4 1.0
CA A:GLU166 4.9 7.4 1.0
C7 A:BYA322 4.9 16.6 1.0
CE1 A:TYR157 5.0 10.2 1.0

Reference:

P.Pfeffer, G.Neudert, L.Englert, T.Ritschel, B.Baum, G.Klebe. Drugscore Fp: Profiling Protein-Ligand Interactions Using Fingerprint Simplicity Paired with Knowledge-Based Potential Fields To Be Published.
Page generated: Wed Dec 16 04:18:25 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy