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Zinc in PDB 6fe6: Solution Structure of A Last Generation P2-P4 Macrocyclic Inhibitor

Zinc Binding Sites:

The binding sites of Zinc atom in the Solution Structure of A Last Generation P2-P4 Macrocyclic Inhibitor (pdb code 6fe6). 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 Solution Structure of A Last Generation P2-P4 Macrocyclic Inhibitor, PDB code: 6fe6:

Zinc binding site 1 out of 1 in 6fe6

Go back to Zinc Binding Sites List in 6fe6
Zinc binding site 1 out of 1 in the Solution Structure of A Last Generation P2-P4 Macrocyclic Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Solution Structure of A Last Generation P2-P4 Macrocyclic Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn202

b:20.0
occ:1.00
SG A:CYS145 1.8 0.0 1.0
HB2 A:HIS149 2.1 0.0 1.0
HB2 A:SER147 2.2 0.0 1.0
SG A:CYS99 2.5 0.0 1.0
SG A:CYS97 2.8 0.0 1.0
H A:HIS149 3.0 0.0 1.0
CB A:CYS145 3.1 0.0 1.0
CB A:SER147 3.2 0.0 1.0
CB A:HIS149 3.2 0.0 1.0
HB2 A:CYS145 3.3 0.0 1.0
HB3 A:SER147 3.3 0.0 1.0
HA A:CYS97 3.3 0.0 1.0
HB3 A:CYS145 3.5 0.0 1.0
HD2 A:HIS149 3.5 0.0 1.0
H A:THR98 3.6 0.0 1.0
HB2 A:SER101 3.6 0.0 1.0
N A:HIS149 3.7 0.0 1.0
H A:SER147 3.7 0.0 1.0
HB3 A:HIS149 3.8 0.0 1.0
HG A:SER147 3.8 0.0 1.0
CG A:HIS149 3.8 0.0 1.0
OG A:SER147 3.9 0.0 1.0
H A:GLY148 4.0 0.0 1.0
CD2 A:HIS149 4.0 0.0 1.0
CA A:HIS149 4.0 0.0 1.0
CB A:CYS99 4.0 0.0 1.0
HB3 A:CYS99 4.0 0.0 1.0
CB A:CYS97 4.1 0.0 1.0
CA A:CYS97 4.1 0.0 1.0
O A:HIS149 4.2 0.0 1.0
H A:CYS99 4.2 0.0 1.0
CA A:SER147 4.2 0.0 1.0
OG A:SER101 4.3 0.0 1.0
N A:SER147 4.3 0.0 1.0
N A:THR98 4.3 0.0 1.0
C A:HIS149 4.3 0.0 1.0
HG A:SER101 4.4 0.0 1.0
H A:CYS145 4.4 0.0 1.0
N A:GLY148 4.4 0.0 1.0
CB A:SER101 4.4 0.0 1.0
HB2 A:CYS97 4.4 0.0 1.0
CA A:CYS145 4.4 0.0 1.0
C A:SER147 4.6 0.0 1.0
N A:CYS99 4.6 0.0 1.0
HB2 A:CYS99 4.7 0.0 1.0
C A:CYS97 4.7 0.0 1.0
C A:CYS145 4.8 0.0 1.0
HB3 A:SER101 4.8 0.0 1.0
N A:CYS145 4.8 0.0 1.0
H A:SER101 4.9 0.0 1.0
C A:GLY148 4.9 0.0 1.0
HB3 A:CYS97 5.0 0.0 1.0
CA A:CYS99 5.0 0.0 1.0
HA A:HIS149 5.0 0.0 1.0
O A:CYS145 5.0 0.0 1.0
HD2 A:PRO146 5.0 0.0 1.0

Reference:

M.Gallo, T.Eliseo, E.S.Monteagudo, S.Sabetta, M.Paci, V.Summa, D.O.Cicero. Solution Structure of A Last Generation Macrocyclic Inhibitor. Hepatitis C Virus NS3 Protease Complex: When S Prime Region Occupancy Is Not Enough to Stabilize the Protein Conformation in the Absence of NS4A. To Be Published.
Page generated: Wed Dec 16 11:47:29 2020

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