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Zinc in PDB 8fnh: Structure of Q148K Hiv-1 Intasome with Dolutegravir Bound

Other elements in 8fnh:

The structure of Structure of Q148K Hiv-1 Intasome with Dolutegravir Bound also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms
Fluorine (F) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of Q148K Hiv-1 Intasome with Dolutegravir Bound (pdb code 8fnh). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of Q148K Hiv-1 Intasome with Dolutegravir Bound, PDB code: 8fnh:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 8fnh

Go back to Zinc Binding Sites List in 8fnh
Zinc binding site 1 out of 2 in the Structure of Q148K Hiv-1 Intasome with Dolutegravir Bound


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Q148K Hiv-1 Intasome with Dolutegravir Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn303

b:85.7
occ:1.00
ND1 A:HIS16 2.0 50.3 1.0
NE2 A:HIS12 2.1 50.9 1.0
SG A:CYS40 2.3 48.0 1.0
SG A:CYS43 2.3 57.0 1.0
CE1 A:HIS12 2.8 46.6 1.0
CE1 A:HIS16 2.9 55.1 1.0
CB A:CYS40 2.9 43.8 1.0
CD2 A:HIS12 3.1 44.9 1.0
CG A:HIS16 3.1 44.9 1.0
CB A:CYS43 3.4 50.5 1.0
CB A:HIS16 3.6 40.3 1.0
ND1 A:HIS12 3.9 43.5 1.0
CA A:HIS16 4.0 44.6 1.0
CG A:HIS12 4.1 50.6 1.0
NE2 A:HIS16 4.1 51.9 1.0
N A:CYS43 4.1 35.7 1.0
CD2 A:HIS16 4.2 42.1 1.0
CA A:CYS43 4.3 34.1 1.0
O A:HOH511 4.3 71.0 1.0
CA A:CYS40 4.4 48.2 1.0
NE2 G:GLN164 4.4 54.1 1.0
C A:LYS42 4.5 47.4 1.0
O A:HIS12 4.6 53.8 1.0
CB A:LYS42 4.7 41.6 1.0
C A:HIS16 4.8 48.6 1.0
C A:CYS40 4.9 49.1 1.0
O A:VAL37 4.9 45.4 1.0
N A:LYS42 5.0 47.1 1.0
CA A:LYS42 5.0 43.0 1.0
O A:CYS40 5.0 45.9 1.0

Zinc binding site 2 out of 2 in 8fnh

Go back to Zinc Binding Sites List in 8fnh
Zinc binding site 2 out of 2 in the Structure of Q148K Hiv-1 Intasome with Dolutegravir Bound


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Q148K Hiv-1 Intasome with Dolutegravir Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Zn303

b:85.7
occ:1.00
ND1 G:HIS16 2.0 50.3 1.0
NE2 G:HIS12 2.1 50.9 1.0
SG G:CYS40 2.3 48.0 1.0
SG G:CYS43 2.3 57.0 1.0
CE1 G:HIS12 2.8 46.6 1.0
CE1 G:HIS16 2.9 55.1 1.0
CB G:CYS40 2.9 43.8 1.0
CD2 G:HIS12 3.1 44.9 1.0
CG G:HIS16 3.1 44.9 1.0
CB G:CYS43 3.4 50.5 1.0
CB G:HIS16 3.6 40.3 1.0
ND1 G:HIS12 3.9 43.5 1.0
CA G:HIS16 4.0 44.6 1.0
CG G:HIS12 4.1 50.6 1.0
NE2 G:HIS16 4.1 51.9 1.0
N G:CYS43 4.1 35.7 1.0
CD2 G:HIS16 4.2 42.1 1.0
CA G:CYS43 4.3 34.1 1.0
O G:HOH511 4.3 71.0 1.0
CA G:CYS40 4.4 48.2 1.0
NE2 A:GLN164 4.4 54.1 1.0
C G:LYS42 4.5 47.4 1.0
O G:HIS12 4.6 53.8 1.0
CB G:LYS42 4.7 41.6 1.0
C G:HIS16 4.8 48.6 1.0
C G:CYS40 4.9 49.1 1.0
O G:VAL37 4.9 45.4 1.0
N G:LYS42 5.0 47.1 1.0
CA G:LYS42 5.0 43.0 1.0
O G:CYS40 5.0 45.9 1.0

Reference:

M.Li, D.Oliveira Passos, Z.Shan, S.J.Smith, Q.Sun, A.Biswas, I.Choudhuri, T.S.Strutzenberg, A.Haldane, N.Deng, Z.Li, X.Z.Zhao, L.Briganti, M.Kvaratskhelia, T.R.Burke Jr., R.M.Levy, S.H.Hughes, R.Craigie, D.Lyumkis. Mechanisms of Hiv-1 Integrase Resistance to Dolutegravir and Potent Inhibition of Drug-Resistant Variants. Sci Adv V. 9 G5953 2023.
ISSN: ESSN 2375-2548
PubMed: 37478179
DOI: 10.1126/SCIADV.ADG5953
Page generated: Thu Dec 28 13:03:00 2023

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