Atomistry » Manganese » PDB 3q7c-3rl4 » 3qin
Atomistry »
  Manganese »
    PDB 3q7c-3rl4 »
      3qin »

Manganese in PDB 3qin: Crystal Structure of Hiv-1 Rnase H P15 with Engineered E. Coli Loop and Pyrimidinol Carboxylic Acid Inhibitor

Enzymatic activity of Crystal Structure of Hiv-1 Rnase H P15 with Engineered E. Coli Loop and Pyrimidinol Carboxylic Acid Inhibitor

All present enzymatic activity of Crystal Structure of Hiv-1 Rnase H P15 with Engineered E. Coli Loop and Pyrimidinol Carboxylic Acid Inhibitor:
2.7.7.49; 2.7.7.7; 3.1.13.2; 3.1.26.13; 3.4.23.16;

Protein crystallography data

The structure of Crystal Structure of Hiv-1 Rnase H P15 with Engineered E. Coli Loop and Pyrimidinol Carboxylic Acid Inhibitor, PDB code: 3qin was solved by E.B.Lansdon, T.A.Kirschberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 23.12 / 1.70
Space group I 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 38.841, 90.370, 111.922, 90.00, 90.00, 90.00
R / Rfree (%) 22 / 25.3

Other elements in 3qin:

The structure of Crystal Structure of Hiv-1 Rnase H P15 with Engineered E. Coli Loop and Pyrimidinol Carboxylic Acid Inhibitor also contains other interesting chemical elements:

Bromine (Br) 1 atom

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of Hiv-1 Rnase H P15 with Engineered E. Coli Loop and Pyrimidinol Carboxylic Acid Inhibitor (pdb code 3qin). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of Hiv-1 Rnase H P15 with Engineered E. Coli Loop and Pyrimidinol Carboxylic Acid Inhibitor, PDB code: 3qin:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 3qin

Go back to Manganese Binding Sites List in 3qin
Manganese binding site 1 out of 2 in the Crystal Structure of Hiv-1 Rnase H P15 with Engineered E. Coli Loop and Pyrimidinol Carboxylic Acid Inhibitor


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Hiv-1 Rnase H P15 with Engineered E. Coli Loop and Pyrimidinol Carboxylic Acid Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn1

b:22.1
occ:1.00
O14 A:P1Y700 2.0 22.4 1.0
OE1 A:GLU478 2.0 23.9 1.0
OD1 A:ASP443 2.1 21.8 1.0
OD2 A:ASP498 2.1 20.7 1.0
O18 A:P1Y700 2.2 22.8 1.0
CD A:GLU478 3.0 21.2 1.0
CG A:ASP498 3.1 21.2 1.0
C11 A:P1Y700 3.1 24.0 1.0
C16 A:P1Y700 3.1 23.8 1.0
CG A:ASP443 3.2 19.4 1.0
OE2 A:GLU478 3.3 22.1 1.0
OD1 A:ASP498 3.4 25.7 1.0
C10 A:P1Y700 3.5 26.2 1.0
OD2 A:ASP443 3.7 21.9 1.0
MN A:MN2 3.7 22.3 1.0
O A:HOH8 3.7 27.7 1.0
O A:HOH42 3.9 34.1 1.0
O A:HOH563 4.0 20.8 1.0
O A:GLY444 4.3 23.2 1.0
C12 A:P1Y700 4.3 21.5 1.0
CG A:GLU478 4.4 22.1 1.0
O17 A:P1Y700 4.4 28.0 1.0
CB A:ASP443 4.4 19.8 1.0
O A:HOH562 4.5 23.2 1.0
CB A:ASP498 4.5 20.5 1.0
N A:GLY444 4.5 21.3 1.0
C A:ASP498 4.5 22.2 1.0
N A:SER499 4.5 23.2 1.0
O A:HOH18 4.5 29.4 1.0
CA A:ASP443 4.6 20.2 1.0
O15 A:P1Y700 4.7 22.4 1.0
CB A:SER499 4.8 25.2 1.0
O A:ASP498 4.8 22.9 1.0
CA A:ASP498 4.8 19.9 1.0
CA A:SER499 4.8 25.1 1.0
N09 A:P1Y700 4.9 22.2 1.0
N A:ASP498 5.0 20.0 1.0

Manganese binding site 2 out of 2 in 3qin

Go back to Manganese Binding Sites List in 3qin
Manganese binding site 2 out of 2 in the Crystal Structure of Hiv-1 Rnase H P15 with Engineered E. Coli Loop and Pyrimidinol Carboxylic Acid Inhibitor


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Hiv-1 Rnase H P15 with Engineered E. Coli Loop and Pyrimidinol Carboxylic Acid Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn2

b:22.3
occ:1.00
OD2 A:ASP549 2.1 21.8 1.0
OD2 A:ASP443 2.1 21.9 1.0
O15 A:P1Y700 2.2 22.4 1.0
O A:HOH563 2.2 20.8 1.0
O A:HOH562 2.2 23.2 1.0
O14 A:P1Y700 2.4 22.4 1.0
C12 A:P1Y700 3.0 21.5 1.0
CG A:ASP443 3.1 19.4 1.0
C11 A:P1Y700 3.1 24.0 1.0
CG A:ASP549 3.2 21.4 1.0
OD1 A:ASP443 3.3 21.8 1.0
CB A:ASP549 3.6 17.8 1.0
MN A:MN1 3.7 22.1 1.0
NH1 A:ARG557 4.0 29.8 1.0
NE2 A:HIS539 4.0 28.3 1.0
OD1 A:ASP498 4.1 25.7 1.0
CA A:ASP549 4.2 23.6 1.0
N13 A:P1Y700 4.3 23.4 1.0
OD1 A:ASP549 4.3 26.3 1.0
O A:GLY444 4.3 23.2 1.0
O A:HOH67 4.3 41.6 1.0
C10 A:P1Y700 4.4 26.2 1.0
CB A:ASP443 4.5 19.8 1.0
O A:HOH9 4.6 25.5 1.0
CE1 A:HIS539 4.7 27.5 1.0
OD2 A:ASP498 4.8 20.7 1.0
CD2 A:HIS539 4.9 27.4 1.0
CG A:ASP498 4.9 21.2 1.0

Reference:

E.B.Lansdon, Q.Liu, S.A.Leavitt, M.Balakrishnan, J.K.Perry, C.Lancaster-Moyer, N.Kutty, X.Liu, N.H.Squires, W.J.Watkins, T.A.Kirschberg. Structural and Binding Analysis of Pyrimidinol Carboxylic Acid and N-Hydroxy Quinazolinedione Hiv-1 Rnase H Inhibitors. Antimicrob.Agents Chemother. V. 55 2905 2011.
ISSN: ISSN 0066-4804
PubMed: 21464257
DOI: 10.1128/AAC.01594-10
Page generated: Sat Oct 5 17:40:49 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy