Zinc in PDB 7mm9: Crystal Structure of Hcv NS3/4A Protease in Complex with NR01-149

Protein crystallography data

The structure of Crystal Structure of Hcv NS3/4A Protease in Complex with NR01-149, PDB code: 7mm9 was solved by J.Zephyr, C.A.Schiffer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 26.69 / 2.11
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 54.6, 58.614, 59.958, 90, 90, 90
R / Rfree (%) 17.7 / 21

Other elements in 7mm9:

The structure of Crystal Structure of Hcv NS3/4A Protease in Complex with NR01-149 also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Hcv NS3/4A Protease in Complex with NR01-149 (pdb code 7mm9). 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 of Hcv NS3/4A Protease in Complex with NR01-149, PDB code: 7mm9:

Zinc binding site 1 out of 1 in 7mm9

Go back to Zinc Binding Sites List in 7mm9
Zinc binding site 1 out of 1 in the Crystal Structure of Hcv NS3/4A Protease in Complex with NR01-149


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 Hcv NS3/4A Protease in Complex with NR01-149 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1201

b:27.4
occ:1.00
SG A:CYS1097 2.2 21.0 1.0
SG A:CYS1099 2.3 57.0 1.0
SG A:CYS1145 2.4 23.5 1.0
ND1 A:HIS1149 2.5 38.2 1.0
HB2 A:CYS1099 2.6 32.9 1.0
H A:CYS1099 2.6 32.9 1.0
HB2 A:HIS1149 2.9 31.6 1.0
CB A:CYS1099 3.0 27.3 1.0
HA A:CYS1097 3.2 30.9 1.0
CB A:CYS1097 3.3 25.9 1.0
HB2 A:CYS1097 3.3 31.1 1.0
HB3 A:CYS1145 3.3 25.3 1.0
CB A:CYS1145 3.3 21.0 1.0
HB2 A:CYS1145 3.4 25.3 1.0
H A:THR1098 3.4 32.1 1.0
N A:CYS1099 3.4 27.4 1.0
CG A:HIS1149 3.4 31.2 1.0
CE1 A:HIS1149 3.5 45.0 1.0
HB3 A:ALA1147 3.6 32.2 1.0
CB A:HIS1149 3.6 26.3 1.0
CA A:CYS1097 3.7 25.7 1.0
HE1 A:HIS1149 3.7 54.1 1.0
HB3 A:CYS1099 3.7 32.9 1.0
CA A:CYS1099 3.8 27.7 1.0
N A:THR1098 3.9 26.7 1.0
HB3 A:HIS1149 4.1 31.6 1.0
HB3 A:CYS1097 4.1 31.1 1.0
C A:CYS1097 4.2 26.4 1.0
H A:HIS1149 4.2 28.9 1.0
H A:ALA1147 4.3 26.6 1.0
HA A:CYS1099 4.5 33.3 1.0
CB A:ALA1147 4.5 26.8 1.0
C A:THR1098 4.5 28.2 1.0
CD2 A:HIS1149 4.6 31.2 1.0
HD2 A:PRO1146 4.6 25.5 1.0
NE2 A:HIS1149 4.6 37.6 1.0
H A:GLY1100 4.7 31.1 1.0
HB2 A:ALA1147 4.7 32.2 1.0
CA A:CYS1145 4.8 20.0 1.0
H A:SER1101 4.8 29.5 1.0
CA A:HIS1149 4.8 24.6 1.0
HB3 A:SER1101 4.8 29.2 1.0
CA A:THR1098 4.8 27.8 1.0
C A:CYS1099 4.9 25.9 1.0
N A:HIS1149 4.9 24.1 1.0
H A:CYS1145 4.9 22.2 1.0
HG21 A:VAL1151 4.9 23.9 1.0

Reference:

J.Zephyr, D.Nageswara Rao, S.V.Vo, M.Henes, K.Kosovrasti, A.N.Matthew, A.K.Hedger, J.Timm, E.T.Chan, A.Ali, N.Kurt Yilmaz, C.A.Schiffer. Deciphering the Molecular Mechanism of Hcv Protease Inhibitor Fluorination As A General Approach to Avoid Drug Resistance. J.Mol.Biol. V. 434 67503 2022.
ISSN: ESSN 1089-8638
PubMed: 35183560
DOI: 10.1016/J.JMB.2022.167503
Page generated: Sat Apr 8 00:52:32 2023

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