Atomistry » Manganese » PDB 7x9j-7yzp » 7xj5
Atomistry »
  Manganese »
    PDB 7x9j-7yzp »
      7xj5 »

Manganese in PDB 7xj5: Crystal Structure of Engineered Hiv-1 Reverse Transcriptase Rnase H Domain Complexed with Nitrofuran Methoxy(Methoxycarbonyl)Phenyl Ester

Enzymatic activity of Crystal Structure of Engineered Hiv-1 Reverse Transcriptase Rnase H Domain Complexed with Nitrofuran Methoxy(Methoxycarbonyl)Phenyl Ester

All present enzymatic activity of Crystal Structure of Engineered Hiv-1 Reverse Transcriptase Rnase H Domain Complexed with Nitrofuran Methoxy(Methoxycarbonyl)Phenyl Ester:
3.1.26.13;

Protein crystallography data

The structure of Crystal Structure of Engineered Hiv-1 Reverse Transcriptase Rnase H Domain Complexed with Nitrofuran Methoxy(Methoxycarbonyl)Phenyl Ester, PDB code: 7xj5 was solved by H.Lu, Y.Komukai, K.Usami, Y.Guo, X.Qiao, M.Nukaga, T.Hoshino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.40 / 1.75
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 61.289, 61.289, 83.116, 90, 90, 90
R / Rfree (%) 27 / 29.8

Other elements in 7xj5:

The structure of Crystal Structure of Engineered Hiv-1 Reverse Transcriptase Rnase H Domain Complexed with Nitrofuran Methoxy(Methoxycarbonyl)Phenyl Ester also contains other interesting chemical elements:

Bromine (Br) 1 atom
Zinc (Zn) 2 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of Engineered Hiv-1 Reverse Transcriptase Rnase H Domain Complexed with Nitrofuran Methoxy(Methoxycarbonyl)Phenyl Ester (pdb code 7xj5). 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 Engineered Hiv-1 Reverse Transcriptase Rnase H Domain Complexed with Nitrofuran Methoxy(Methoxycarbonyl)Phenyl Ester, PDB code: 7xj5:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 7xj5

Go back to Manganese Binding Sites List in 7xj5
Manganese binding site 1 out of 2 in the Crystal Structure of Engineered Hiv-1 Reverse Transcriptase Rnase H Domain Complexed with Nitrofuran Methoxy(Methoxycarbonyl)Phenyl Ester


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 Engineered Hiv-1 Reverse Transcriptase Rnase H Domain Complexed with Nitrofuran Methoxy(Methoxycarbonyl)Phenyl Ester within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn202

b:33.9
occ:1.00
OD1 A:ASP23 1.8 19.6 1.0
OAH A:ECW201 2.2 99.0 1.0
OE2 A:GLU58 2.3 32.0 1.0
OD1 A:ASP78 2.4 21.8 1.0
CG A:ASP23 2.9 22.3 1.0
CD A:GLU58 2.9 24.8 1.0
OE1 A:GLU58 2.9 20.2 1.0
OAA A:ECW201 3.0 72.3 1.0
OD2 A:ASP78 3.1 19.1 1.0
CG A:ASP78 3.1 24.4 1.0
MN A:MN203 3.2 36.8 1.0
OD2 A:ASP23 3.3 24.0 1.0
O A:HOH309 3.3 22.7 1.0
NAF A:ECW201 3.4 87.6 1.0
O A:GLY24 3.6 22.5 1.0
CAB A:ECW201 3.6 72.9 1.0
OAK A:ECW201 3.9 74.9 1.0
N A:GLY24 4.1 17.8 1.0
CAE A:ECW201 4.1 79.5 1.0
CB A:ASP23 4.2 15.6 1.0
NH2 A:ARG147 4.3 38.3 1.0
CG A:GLU58 4.4 17.8 1.0
CA A:ASP23 4.4 17.6 1.0
CAJ A:ECW201 4.4 79.7 1.0
CB A:ASP78 4.5 16.7 1.0
C A:GLY24 4.6 23.6 1.0
OAG A:ECW201 4.7 59.5 1.0
C A:ASP23 4.8 22.2 1.0
CAC A:ECW201 4.9 74.0 1.0
C A:ASP78 4.9 19.8 1.0
CA A:GLY24 4.9 20.5 1.0
OD1 A:ASP139 5.0 34.3 1.0

Manganese binding site 2 out of 2 in 7xj5

Go back to Manganese Binding Sites List in 7xj5
Manganese binding site 2 out of 2 in the Crystal Structure of Engineered Hiv-1 Reverse Transcriptase Rnase H Domain Complexed with Nitrofuran Methoxy(Methoxycarbonyl)Phenyl Ester


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 Engineered Hiv-1 Reverse Transcriptase Rnase H Domain Complexed with Nitrofuran Methoxy(Methoxycarbonyl)Phenyl Ester within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn203

b:36.8
occ:1.00
OD2 A:ASP23 1.9 24.0 1.0
OAK A:ECW201 1.9 74.9 1.0
OD2 A:ASP78 2.3 19.1 1.0
OD1 A:ASP139 2.7 34.3 1.0
CG A:ASP23 2.8 22.3 1.0
CAJ A:ECW201 3.1 79.7 1.0
OD1 A:ASP23 3.1 19.6 1.0
MN A:MN202 3.2 33.9 1.0
CG A:ASP139 3.3 34.4 1.0
CB A:ASP139 3.4 28.9 1.0
CG A:ASP78 3.4 24.4 1.0
OAA A:ECW201 3.5 72.3 1.0
CAE A:ECW201 3.7 79.5 1.0
OAO A:ECW201 3.8 65.4 1.0
OD1 A:ASP78 3.9 21.8 1.0
NH2 A:ARG147 3.9 38.3 1.0
ND2 A:ASN135 4.0 19.0 1.0
CB A:ALA128 4.1 42.7 1.0
CB A:ASP23 4.1 15.6 1.0
CA A:ASP139 4.2 22.9 1.0
OAL A:ECW201 4.2 81.4 1.0
OD1 A:ASN135 4.2 19.7 1.0
CAM A:ECW201 4.3 70.3 1.0
OD2 A:ASP139 4.4 41.8 1.0
CAN A:ECW201 4.5 70.4 1.0
CG A:ASN135 4.5 19.1 1.0
O A:ASN135 4.6 19.0 1.0
CB A:ASP78 4.7 16.7 1.0
OAH A:ECW201 4.7 99.0 1.0
CAB A:ECW201 4.7 72.9 1.0
O A:HOH309 4.7 22.7 1.0
N A:ASP139 4.9 21.1 1.0

Reference:

H.Lu, Y.Komukai, K.Usami, Y.Guo, X.Qiao, M.Nukaga, T.Hoshino. Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds For Hiv-1 Rnase H Activity. J.Chem.Inf.Model. 2022.
ISSN: ESSN 1549-960X
PubMed: 36184946
DOI: 10.1021/ACS.JCIM.2C00537
Page generated: Sat Aug 16 23:59:49 2025

Last articles

Na in 6B91
Na in 6B7W
Na in 6B7V
Na in 6B7U
Na in 6B5E
Na in 6B4N
Na in 6B2Y
Na in 6B4X
Na in 6B2X
Na in 6B3T
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy