Zinc in PDB 3fav: Structure of the CFP10-ESAT6 Complex From Mycobacterium Tuberculosis

The structure of Structure of the CFP10-ESAT6 Complex From Mycobacterium Tuberculosis, PDB code: 3fav was solved by C.Poulsen, S.J.Holton, M.Wilmanns, Y.H.Song, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.86 / 2.15
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	160.340, 23.930, 83.860, 90.00, 94.36, 90.00
R / Rfree (%)	19.9 / 23.3

The binding sites of Zinc atom in the Structure of the CFP10-ESAT6 Complex From Mycobacterium Tuberculosis (pdb code 3fav). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 7 binding sites of Zinc where determined in the Structure of the CFP10-ESAT6 Complex From Mycobacterium Tuberculosis, PDB code: 3fav:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7;

Zinc binding site 1 out of 7 in the Structure of the CFP10-ESAT6 Complex From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of the CFP10-ESAT6 Complex From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn101 b:70.5 occ:1.00 OE1 A:GLU14 2.2 31.8 1.0 O B:HOH132 2.7 31.6 1.0 O A:HOH167 2.7 32.8 1.0 CD A:GLU14 3.0 29.2 1.0 OE2 A:GLU14 3.2 22.4 1.0 O A:HOH208 3.2 39.2 1.0 NZ B:LYS38 3.5 79.8 1.0 O C:HOH175 3.5 40.3 1.0 ND2 A:ASN17 3.7 20.2 1.0 O A:HOH280 3.7 36.9 1.0 CD B:LYS38 3.8 53.8 1.0 CE B:LYS38 4.2 66.2 1.0 CG A:GLU14 4.4 29.0 1.0 CG A:ASN17 4.5 20.6 1.0 CB A:ASN17 4.7 22.2 1.0

Zinc binding site 2 out of 7 in the Structure of the CFP10-ESAT6 Complex From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of the CFP10-ESAT6 Complex From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn102 b:63.9 occ:1.00 OD1 A:ASP24 2.3 21.3 1.0 O A:HOH303 2.9 41.8 1.0 CG A:ASP24 3.1 21.0 1.0 OD2 A:ASP24 3.3 20.8 1.0 O A:HOH265 3.8 46.6 1.0 CB A:ASP24 4.4 20.9 1.0 O A:HOH108 4.5 33.3 1.0 O A:HOH301 4.5 27.4 1.0 CA A:ASP24 4.8 21.2 1.0 O A:HOH302 4.9 28.6 1.0

Zinc binding site 3 out of 7 in the Structure of the CFP10-ESAT6 Complex From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure of the CFP10-ESAT6 Complex From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1 b:36.6 occ:1.00 NE2 B:HIS26 2.2 20.0 1.0 OD2 B:ASP30 2.2 30.5 1.0 O B:HOH308 2.4 42.2 1.0 CG B:ASP30 3.0 21.8 1.0 OD1 B:ASP30 3.1 20.8 1.0 CE1 B:HIS26 3.1 19.9 1.0 CD2 B:HIS26 3.2 19.9 1.0 ND1 B:HIS26 4.2 19.7 1.0 CG B:HIS26 4.3 19.6 1.0 O C:HOH145 4.4 31.6 1.0 O B:HOH231 4.4 30.4 1.0 CB B:ASP30 4.5 21.7 1.0

Zinc binding site 4 out of 7 in the Structure of the CFP10-ESAT6 Complex From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Structure of the CFP10-ESAT6 Complex From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn96 b:23.3 occ:0.50 OE2 B:GLU31 1.9 20.1 1.0 N1 B:IMD97 2.2 22.2 1.0 C2 B:IMD97 2.6 23.4 1.0 CD B:GLU31 2.8 20.4 1.0 OE1 B:GLU31 3.0 19.6 1.0 C5 B:IMD97 3.5 25.9 1.0 O C:HOH144 3.8 45.5 1.0 N3 B:IMD97 3.9 27.2 1.0 CG B:GLU31 4.2 19.9 1.0 NH1 A:ARG20 4.2 20.3 1.0 C4 B:IMD97 4.3 28.7 1.0 NH2 A:ARG20 4.5 20.1 1.0 CZ A:ARG20 4.7 20.4 1.0 CD2 B:LEU28 4.9 18.8 1.0

Zinc binding site 5 out of 7 in the Structure of the CFP10-ESAT6 Complex From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Structure of the CFP10-ESAT6 Complex From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn101 b:38.5 occ:1.00 OD1 C:ASP7 2.1 36.5 1.0 OE2 C:GLU3 2.4 43.6 1.0 O C:HOH306 2.7 46.2 1.0 CD C:GLU3 2.8 52.3 1.0 CG C:ASP7 2.9 31.4 1.0 OD2 C:ASP7 3.0 28.2 1.0 CG C:GLU3 3.3 53.4 1.0 OE1 C:GLU3 3.6 52.4 1.0 O D:HOH118 3.9 25.3 1.0 O C:HOH162 3.9 30.0 1.0 O D:HOH123 4.0 33.5 1.0 CB C:ASP7 4.3 30.2 1.0 O C:GLU3 4.6 42.4 1.0 CB C:GLU3 4.7 64.6 1.0

Zinc binding site 6 out of 7 in the Structure of the CFP10-ESAT6 Complex From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Structure of the CFP10-ESAT6 Complex From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn102 b:55.5 occ:1.00 O C:HOH197 2.3 30.1 1.0 O C:HOH288 2.3 29.6 1.0 OD1 C:ASP30 2.4 30.1 1.0 CG C:ASP30 3.3 27.6 1.0 O C:HOH212 3.4 38.4 1.0 OD2 C:ASP30 3.6 25.6 1.0 CB C:LYS26 4.0 17.3 1.0 O C:LYS26 4.0 17.4 1.0 O C:HOH300 4.2 48.8 1.0 C C:LYS26 4.3 17.3 1.0 O C:HOH202 4.4 29.4 1.0 O C:HOH140 4.7 23.0 1.0 CB C:ASP30 4.7 18.4 1.0 CA C:LYS26 4.7 17.2 1.0 CG C:LYS26 4.8 17.3 1.0 CD C:LYS26 4.9 17.4 1.0 N C:THR27 4.9 17.1 1.0

Zinc binding site 7 out of 7 in the Structure of the CFP10-ESAT6 Complex From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Structure of the CFP10-ESAT6 Complex From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn96 b:50.0 occ:1.00 NE2 D:HIS26 2.2 19.7 1.0 CE1 D:HIS26 2.4 19.4 1.0 CD2 D:HIS26 3.5 20.2 1.0 ND1 D:HIS26 3.7 21.1 1.0 CG D:HIS26 4.2 19.3 1.0 O C:HOH124 4.2 33.4 1.0 OD1 D:ASP30 4.3 22.8 1.0 O C:HOH112 4.3 22.9 1.0 OD2 D:ASP30 4.4 39.4 1.0 CG D:ASP30 4.8 28.1 1.0 ND2 D:ASN66 5.0 17.3 1.0

C.Poulsen, S.Panjikar, S.J.Holton, M.Wilmanns, Y.H.Song. WXG100 Protein Superfamily Consists of Three Subfamilies and Exhibits An Alpha-Helical C-Terminal Conserved Residue Pattern. Plos One V. 9 89313 2014.
ISSN: ESSN 1932-6203
PubMed: 24586681
DOI: 10.1371/JOURNAL.PONE.0089313