Magnesium in PDB 4dmb: X-Ray Structure of Human Hepatitus C Virus NS5A-Transactivated Protein 2 at the Resolution 1.9A, Northeast Structural Genomics Consortium (Nesg) Target HR6723

The structure of X-Ray Structure of Human Hepatitus C Virus NS5A-Transactivated Protein 2 at the Resolution 1.9A, Northeast Structural Genomics Consortium (Nesg) Target HR6723, PDB code: 4dmb was solved by A.Kuzin, M.Su, J.Seetharaman, P.Patel, R.Xiao, C.Ciccosanti, D.Lee, J.K.Everett, T.B.Acton, G.T.Montelione, J.F.Hunt, L.Tong, Northeaststructural Genomics Consortium (Nesg), Mitochondrial Proteinpartnership (Mpp), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.30 / 1.90
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.393, 68.393, 174.452, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 20.7

The binding sites of Magnesium atom in the X-Ray Structure of Human Hepatitus C Virus NS5A-Transactivated Protein 2 at the Resolution 1.9A, Northeast Structural Genomics Consortium (Nesg) Target HR6723 (pdb code 4dmb). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the X-Ray Structure of Human Hepatitus C Virus NS5A-Transactivated Protein 2 at the Resolution 1.9A, Northeast Structural Genomics Consortium (Nesg) Target HR6723, PDB code: 4dmb:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the X-Ray Structure of Human Hepatitus C Virus NS5A-Transactivated Protein 2 at the Resolution 1.9A, Northeast Structural Genomics Consortium (Nesg) Target HR6723


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of X-Ray Structure of Human Hepatitus C Virus NS5A-Transactivated Protein 2 at the Resolution 1.9A, Northeast Structural Genomics Consortium (Nesg) Target HR6723 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg306 b:13.6 occ:1.00 OD1 A:ASP143 2.0 30.4 1.0 OD2 A:ASP78 2.2 20.0 1.0 NE2 A:HIS49 2.3 15.8 1.0 NE2 A:HIS77 2.3 21.0 1.0 CD2 A:HIS49 3.0 15.5 1.0 CG A:ASP78 3.1 21.2 1.0 CG A:ASP143 3.1 26.4 1.0 CE1 A:HIS77 3.2 18.2 1.0 CD2 A:HIS77 3.3 16.5 1.0 OD1 A:ASP78 3.4 24.4 1.0 CE1 A:HIS49 3.4 18.2 1.0 OD2 A:ASP143 3.7 32.4 1.0 O A:HOH460 3.8 28.5 1.0 NH1 A:ARG32 3.9 16.2 1.0 O A:HOH405 4.0 21.0 1.0 SE A:MSE53 4.2 28.3 1.0 O A:HOH459 4.2 24.0 1.0 CB A:ASP143 4.2 17.7 1.0 CG A:HIS49 4.2 16.1 1.0 ND1 A:HIS77 4.3 18.7 1.0 CB A:ASP78 4.3 17.5 1.0 CG A:HIS77 4.4 17.1 1.0 ND1 A:HIS49 4.4 17.7 1.0 O A:HOH452 4.6 38.5 1.0 CZ A:ARG32 4.7 21.1 1.0 O A:HOH484 4.8 31.4 1.0 MG A:MG307 5.0 27.4 1.0 CE A:MSE53 5.0 12.7 1.0 CA A:ASP143 5.0 15.7 1.0

Magnesium binding site 2 out of 4 in the X-Ray Structure of Human Hepatitus C Virus NS5A-Transactivated Protein 2 at the Resolution 1.9A, Northeast Structural Genomics Consortium (Nesg) Target HR6723


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of X-Ray Structure of Human Hepatitus C Virus NS5A-Transactivated Protein 2 at the Resolution 1.9A, Northeast Structural Genomics Consortium (Nesg) Target HR6723 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg307 b:27.4 occ:1.00 OE2 A:GLU81 2.1 21.6 1.0 OD1 A:ASP86 2.1 25.9 1.0 O A:HOH417 2.1 24.0 1.0 O A:HOH460 2.2 28.5 1.0 O A:HOH405 2.2 21.0 1.0 O A:HOH484 2.3 31.4 1.0 CD A:GLU81 3.0 22.5 1.0 CG A:ASP86 3.2 24.2 1.0 OE1 A:GLU81 3.3 22.1 1.0 OD1 A:ASP78 3.9 24.4 1.0 OD2 A:ASP86 3.9 24.4 1.0 O A:HOH488 3.9 38.0 1.0 OD2 A:ASP78 4.0 20.0 1.0 O A:HOH454 4.1 34.9 1.0 CG A:ASP78 4.1 21.2 1.0 CB A:ASP86 4.2 19.5 1.0 O A:ILE87 4.2 24.2 1.0 NH1 A:ARG32 4.3 16.2 1.0 CA A:ASP86 4.3 20.1 1.0 O A:HOH425 4.3 25.9 1.0 CG A:GLU81 4.3 18.3 1.0 N A:ILE87 4.6 22.9 1.0 C A:ASP86 4.6 23.9 1.0 MG A:MG306 5.0 13.6 1.0

Magnesium binding site 3 out of 4 in the X-Ray Structure of Human Hepatitus C Virus NS5A-Transactivated Protein 2 at the Resolution 1.9A, Northeast Structural Genomics Consortium (Nesg) Target HR6723


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of X-Ray Structure of Human Hepatitus C Virus NS5A-Transactivated Protein 2 at the Resolution 1.9A, Northeast Structural Genomics Consortium (Nesg) Target HR6723 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg305 b:12.6 occ:1.00 O B:HOH480 2.0 37.1 1.0 OD1 B:ASP143 2.0 28.8 1.0 NE2 B:HIS49 2.2 17.6 1.0 NE2 B:HIS77 2.3 19.5 1.0 OD2 B:ASP78 2.3 18.4 1.0 CD2 B:HIS49 3.0 13.9 1.0 CG B:ASP143 3.1 26.5 1.0 CG B:ASP78 3.1 18.3 1.0 CE1 B:HIS77 3.2 22.4 1.0 CD2 B:HIS77 3.3 16.1 1.0 CE1 B:HIS49 3.3 17.1 1.0 OD1 B:ASP78 3.4 18.0 1.0 OD2 B:ASP143 3.7 30.6 1.0 O B:HOH403 3.9 23.9 1.0 NH1 B:ARG32 4.0 16.9 1.0 SE B:MSE53 4.1 20.3 0.7 O B:HOH401 4.2 20.8 1.0 O B:HOH461 4.2 30.0 1.0 CG B:HIS49 4.2 12.7 1.0 CB B:ASP143 4.2 19.1 1.0 ND1 B:HIS77 4.3 20.5 1.0 ND1 B:HIS49 4.3 16.1 1.0 CG B:HIS77 4.4 19.7 1.0 CB B:ASP78 4.4 15.6 1.0 CZ B:ARG32 4.9 18.9 1.0 CE B:MSE53 4.9 12.7 1.0

Magnesium binding site 4 out of 4 in the X-Ray Structure of Human Hepatitus C Virus NS5A-Transactivated Protein 2 at the Resolution 1.9A, Northeast Structural Genomics Consortium (Nesg) Target HR6723


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of X-Ray Structure of Human Hepatitus C Virus NS5A-Transactivated Protein 2 at the Resolution 1.9A, Northeast Structural Genomics Consortium (Nesg) Target HR6723 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg306 b:23.4 occ:1.00 OE2 B:GLU81 2.0 19.7 1.0 OD1 B:ASP86 2.1 22.8 1.0 O B:HOH403 2.2 23.9 1.0 O B:HOH402 2.2 22.1 1.0 O B:HOH477 2.2 31.1 1.0 O B:HOH401 2.2 20.8 1.0 CD B:GLU81 3.0 24.4 1.0 CG B:ASP86 3.2 19.9 1.0 OE1 B:GLU81 3.3 20.0 1.0 O B:HOH480 3.9 37.1 1.0 OD2 B:ASP86 3.9 21.2 1.0 O B:HOH410 4.0 30.8 1.0 OD1 B:ASP78 4.0 18.0 1.0 O B:HOH465 4.1 49.6 1.0 OD2 B:ASP78 4.1 18.4 1.0 O3 B:UNL304 4.1 37.5 1.0 CG B:ASP78 4.2 18.3 1.0 O B:ILE87 4.3 21.1 1.0 CB B:ASP86 4.3 13.2 1.0 NH1 B:ARG32 4.3 16.9 1.0 O B:HOH414 4.4 22.7 1.0 CG B:GLU81 4.4 20.1 1.0 CA B:ASP86 4.4 17.9 1.0 N B:ILE87 4.6 19.4 1.0 C B:ASP86 4.7 23.1 1.0

A.Kuzin, M.Su, J.Seetharaman, P.Patel, R.Xiao, C.Ciccosanti, D.Lee, J.K.Everett, T.B.Acton, G.T.Montelione, J.F.Hunt, L.Tong. Northeast Structural Genomics Consortium Target HR6723 To Be Published.