Zinc in PDB 3zqj: Mycobacterium Tuberculosis Uvra

The structure of Mycobacterium Tuberculosis Uvra, PDB code: 3zqj was solved by F.Rossi, J.S.Khanduja, A.Bortoluzzi, J.Houghton, P.Sander, C.Guthlein, E.O.Davis, B.Springer, E.C.Bottger, A.Relini, A.Penco, K.Muniyappa, M.Rizzi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 3.40
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	258.227, 258.227, 204.554, 90.00, 90.00, 120.00
R / Rfree (%)	27.286 / 32.422

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Zinc atom in the Mycobacterium Tuberculosis Uvra (pdb code 3zqj). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 14 binding sites of Zinc where determined in the Mycobacterium Tuberculosis Uvra, PDB code: 3zqj:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 14 in the Mycobacterium Tuberculosis Uvra


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Mycobacterium Tuberculosis Uvra within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1954 b:65.5 occ:1.00 SG A:CYS753 2.3 73.0 1.0 SG A:CYS756 2.4 61.2 1.0 SG A:CYS776 2.6 61.5 1.0 SG A:CYS779 2.6 55.2 1.0 CB A:CYS779 2.9 59.9 1.0 N A:CYS756 3.3 65.1 1.0 CB A:CYS776 3.4 60.5 1.0 CB A:CYS756 3.5 63.6 1.0 CB A:CYS753 3.5 72.1 1.0 CB A:ALA755 3.6 67.4 1.0 N A:CYS779 3.6 60.3 1.0 CA A:CYS779 3.9 60.2 1.0 CA A:CYS756 4.0 64.0 1.0 C A:ALA755 4.1 66.2 1.0 N A:ALA755 4.1 68.3 1.0 CA A:ALA755 4.1 67.2 1.0 CB A:VAL778 4.2 60.3 1.0 C A:VAL778 4.4 60.3 1.0 CA A:VAL778 4.7 60.4 1.0 CG1 A:VAL778 4.7 60.4 1.0 CA A:CYS753 4.8 72.2 1.0 C A:CYS753 4.8 71.5 1.0 CA A:CYS776 4.8 60.2 1.0 N A:VAL778 4.8 61.3 1.0 O A:CYS753 5.0 71.1 1.0

Zinc binding site 2 out of 14 in the Mycobacterium Tuberculosis Uvra


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Mycobacterium Tuberculosis Uvra within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1955 b:0.3 occ:1.00 SG A:CYS257 2.0 45.5 1.0 ND1 A:HIS261 2.3 50.6 1.0 SG A:CYS121 2.4 50.5 1.0 SG A:CYS124 2.7 46.9 1.0 CB A:CYS124 2.7 50.1 1.0 CE1 A:HIS261 2.9 51.1 1.0 CG A:HIS261 3.0 52.1 1.0 CB A:CYS121 3.3 49.3 1.0 N A:CYS124 3.3 51.5 1.0 CB A:CYS257 3.4 48.1 1.0 CA A:CYS124 3.5 51.2 1.0 CB A:HIS261 3.5 52.5 1.0 NE2 A:HIS261 3.7 51.3 1.0 CD2 A:HIS261 3.7 51.2 1.0 OG1 A:THR123 3.8 50.3 1.0 N A:GLY125 3.8 53.0 1.0 C A:CYS124 4.1 52.3 1.0 CA A:CYS257 4.4 49.0 1.0 C A:THR123 4.5 51.6 1.0 N A:HIS261 4.5 52.5 1.0 CD A:PRO258 4.6 50.5 1.0 CA A:HIS261 4.6 52.3 1.0 CA A:CYS121 4.7 48.5 1.0 N A:THR123 4.8 51.0 1.0 CB A:ASN259 4.9 51.0 1.0 CA A:THR123 5.0 51.2 1.0 CB A:THR123 5.0 51.2 1.0

Zinc binding site 3 out of 14 in the Mycobacterium Tuberculosis Uvra


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Mycobacterium Tuberculosis Uvra within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1956 b:48.3 occ:1.00 SG A:CYS285 2.4 37.0 1.0 SG A:CYS415 2.4 36.8 1.0 SG A:CYS282 2.5 39.5 1.0 SG A:CYS412 2.5 42.8 1.0 CB A:CYS415 2.9 38.4 1.0 CB A:CYS412 2.9 42.2 1.0 CB A:CYS285 3.1 38.3 1.0 CB A:CYS282 3.5 38.7 1.0 N A:CYS285 3.5 38.8 1.0 N A:CYS415 3.9 40.3 1.0 CA A:CYS285 3.9 38.4 1.0 CA A:CYS415 4.0 38.7 1.0 CB A:GLU284 4.0 40.6 1.0 CA A:CYS412 4.3 42.5 1.0 O A:CYS282 4.5 38.7 1.0 C A:GLU284 4.5 39.0 1.0 CG A:GLU284 4.6 44.1 1.0 CG2 A:VAL414 4.6 40.4 1.0 CA A:GLU284 4.7 39.9 1.0 O A:CYS412 4.7 43.2 1.0 C A:CYS412 4.8 42.9 1.0 CB A:VAL414 4.8 41.5 1.0 CA A:CYS282 4.8 38.4 1.0 C A:VAL414 4.8 41.3 1.0 C A:CYS282 4.8 38.7 1.0 C A:CYS285 4.8 38.1 1.0 C A:CYS415 4.8 38.1 1.0 CA A:GLY289 4.9 43.0 1.0 O A:GLY289 4.9 44.0 1.0 N A:GLU284 4.9 39.6 1.0 C A:GLY289 4.9 44.0 1.0

Zinc binding site 4 out of 14 in the Mycobacterium Tuberculosis Uvra


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Mycobacterium Tuberculosis Uvra within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1954 b:65.7 occ:1.00 SG B:CYS756 2.3 61.3 1.0 SG B:CYS779 2.3 55.1 1.0 SG B:CYS776 2.3 61.7 1.0 SG B:CYS753 2.3 73.2 1.0 CB B:CYS779 3.0 59.8 1.0 CB B:CYS776 3.1 60.5 1.0 CB B:CYS753 3.2 72.3 1.0 CB B:CYS756 3.3 63.6 1.0 N B:CYS779 3.4 60.3 1.0 N B:CYS756 3.5 65.1 1.0 CA B:CYS779 3.8 60.2 1.0 CA B:CYS756 4.0 64.0 1.0 CB B:VAL778 4.1 60.4 1.0 CB B:ALA755 4.2 67.5 1.0 C B:VAL778 4.3 60.3 1.0 CA B:CYS753 4.5 72.2 1.0 CG1 B:VAL778 4.5 60.4 1.0 C B:ALA755 4.5 66.3 1.0 CA B:VAL778 4.6 60.5 1.0 CA B:CYS776 4.6 60.2 1.0 C B:CYS779 4.7 61.5 1.0 C B:CYS753 4.7 71.5 1.0 N B:ALA755 4.7 68.5 1.0 O B:CYS753 4.7 71.1 1.0 N B:VAL778 4.8 61.2 1.0 CA B:ALA755 4.8 67.2 1.0 CA B:GLY760 4.9 63.2 1.0 N B:ARG783 5.0 68.8 1.0 C B:CYS776 5.0 60.8 1.0

Zinc binding site 5 out of 14 in the Mycobacterium Tuberculosis Uvra


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Mycobacterium Tuberculosis Uvra within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1955 b:0.2 occ:1.00 SG B:CYS121 2.5 54.5 1.0 ND1 B:HIS261 2.5 73.8 1.0 SG B:CYS257 2.5 64.3 1.0 SG B:CYS124 2.6 52.3 1.0 CE1 B:HIS261 3.4 73.6 1.0 CG B:HIS261 3.5 73.8 1.0 N B:CYS124 3.5 60.2 1.0 CB B:CYS121 3.6 54.6 1.0 CB B:THR123 3.6 58.9 1.0 CB B:CYS124 3.6 59.4 1.0 CB B:HIS261 3.8 74.5 1.0 CB B:CYS257 3.9 71.5 1.0 CG2 B:THR123 4.0 58.7 1.0 CA B:CYS124 4.2 60.3 1.0 C B:THR123 4.2 59.5 1.0 ND2 B:ASN259 4.3 73.0 1.0 CA B:THR123 4.3 58.8 1.0 NE2 B:HIS261 4.5 73.0 1.0 O B:CYS124 4.5 62.6 1.0 OG1 B:THR123 4.6 58.9 1.0 CD2 B:HIS261 4.6 72.7 1.0 N B:THR123 4.7 57.4 1.0 CB B:ASN259 4.7 74.7 1.0 C B:CYS124 4.8 62.6 1.0 CG B:ASN259 4.8 73.7 1.0

Zinc binding site 6 out of 14 in the Mycobacterium Tuberculosis Uvra


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Mycobacterium Tuberculosis Uvra within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1956 b:44.3 occ:1.00 SG B:CYS285 2.3 52.5 1.0 SG B:CYS415 2.4 40.4 1.0 SG B:CYS282 2.4 47.0 1.0 SG B:CYS412 2.4 39.6 1.0 CB B:CYS282 3.2 47.5 1.0 CB B:CYS412 3.2 40.3 1.0 CB B:CYS415 3.4 40.0 1.0 CB B:CYS285 3.6 51.8 1.0 N B:CYS415 3.7 41.0 1.0 CB B:GLU284 3.8 50.5 1.0 CG B:GLU284 3.9 51.8 1.0 O B:CYS282 3.9 48.4 1.0 N B:CYS285 3.9 51.4 1.0 CA B:CYS415 4.2 39.9 1.0 CB B:VAL414 4.2 41.0 1.0 CA B:CYS285 4.4 51.7 1.0 C B:CYS282 4.4 48.1 1.0 CG1 B:VAL414 4.4 41.5 1.0 CA B:CYS282 4.4 47.5 1.0 O B:CYS412 4.4 40.2 1.0 CA B:CYS412 4.5 40.5 1.0 C B:GLU284 4.6 50.8 1.0 C B:CYS412 4.6 40.5 1.0 CA B:GLU284 4.7 50.5 1.0 C B:VAL414 4.7 41.5 1.0 N B:GLU284 4.8 50.0 1.0 CA B:VAL414 4.9 41.2 1.0 CA B:GLY289 4.9 52.7 1.0

Zinc binding site 7 out of 14 in the Mycobacterium Tuberculosis Uvra


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Mycobacterium Tuberculosis Uvra within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn1954 b:65.9 occ:1.00 SG C:CYS756 2.0 61.3 1.0 SG C:CYS779 2.1 55.5 1.0 SG C:CYS776 2.2 61.7 1.0 SG C:CYS753 2.5 73.2 1.0 CB C:CYS779 2.9 59.9 1.0 CB C:CYS776 3.0 60.5 1.0 CB C:CYS756 3.2 63.6 1.0 N C:CYS779 3.3 60.3 1.0 CB C:CYS753 3.4 72.2 1.0 N C:CYS756 3.6 65.0 1.0 CA C:CYS779 3.6 60.3 1.0 CA C:CYS756 4.0 64.0 1.0 CB C:ALA755 4.3 67.5 1.0 C C:VAL778 4.4 60.4 1.0 CA C:CYS776 4.4 60.3 1.0 CB C:VAL778 4.5 60.3 1.0 C C:CYS779 4.5 61.5 1.0 C C:ALA755 4.7 66.2 1.0 CG1 C:VAL778 4.7 60.3 1.0 O C:CYS776 4.7 60.7 1.0 CA C:CYS753 4.7 72.2 1.0 C C:CYS776 4.8 60.7 1.0 CA C:VAL778 4.8 60.5 1.0 CA C:GLY760 4.9 63.2 1.0 CA C:ALA755 4.9 67.2 1.0 C C:CYS756 4.9 64.0 1.0 N C:VAL778 4.9 61.3 1.0 N C:ALA755 4.9 68.4 1.0 N C:GLN780 4.9 62.9 1.0 C C:CYS753 4.9 71.5 1.0 N C:ARG783 5.0 68.8 1.0

Zinc binding site 8 out of 14 in the Mycobacterium Tuberculosis Uvra


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Mycobacterium Tuberculosis Uvra within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn1955 b:0.8 occ:1.00 SG C:CYS282 2.3 53.1 1.0 SG C:CYS415 2.3 52.2 1.0 SG C:CYS285 2.4 55.9 1.0 CB C:CYS415 2.5 54.2 1.0 SG C:CYS412 2.5 55.5 1.0 CB C:CYS282 3.0 57.2 1.0 CB C:CYS285 3.3 60.2 1.0 N C:CYS415 3.5 55.5 1.0 CA C:CYS415 3.6 54.8 1.0 CB C:CYS412 3.7 56.7 1.0 N C:CYS285 3.8 61.8 1.0 CA C:CYS285 4.2 61.2 1.0 O C:CYS282 4.2 58.4 1.0 CA C:CYS282 4.3 57.5 1.0 C C:CYS282 4.3 58.5 1.0 C C:VAL414 4.6 55.7 1.0 C C:CYS415 4.7 54.8 1.0 CB C:GLU284 4.7 62.5 1.0 CB C:VAL414 4.8 56.1 1.0 O C:CYS412 4.8 56.6 1.0 N C:GLU284 4.8 60.8 1.0 CA C:GLY289 4.8 66.4 1.0 C C:GLU284 4.8 61.7 1.0 N C:SER286 4.9 62.6 1.0 C C:CYS412 4.9 56.7 1.0 CA C:CYS412 4.9 56.9 1.0 N C:CYS282 5.0 57.3 1.0

Zinc binding site 9 out of 14 in the Mycobacterium Tuberculosis Uvra


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Mycobacterium Tuberculosis Uvra within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn1956 b:76.6 occ:1.00 SG C:CYS124 2.3 67.5 1.0 SG C:CYS257 2.3 69.5 1.0 SG C:CYS121 2.4 64.9 1.0 ND1 C:HIS261 2.7 79.9 1.0 CB C:CYS121 3.0 64.3 1.0 CB C:CYS124 3.3 68.6 1.0 CE1 C:HIS261 3.6 80.7 1.0 CG C:HIS261 3.7 78.4 1.0 CB C:CYS257 3.7 70.1 1.0 CB C:HIS261 3.9 76.5 1.0 OG1 C:THR123 4.0 67.3 1.0 N C:CYS124 4.0 68.3 1.0 CB C:ASN259 4.1 74.1 1.0 CA C:CYS124 4.2 68.5 1.0 CB C:GLU126 4.2 75.9 1.0 N C:HIS261 4.4 75.8 1.0 N C:GLU126 4.5 74.4 1.0 CA C:CYS121 4.5 64.4 1.0 N C:GLY125 4.5 69.8 1.0 CG C:GLU126 4.6 77.6 1.0 OD1 C:ASN259 4.7 75.1 1.0 C C:CYS124 4.8 68.8 1.0 NE2 C:HIS261 4.8 81.0 1.0 CA C:HIS261 4.8 76.2 1.0 N C:ASN259 4.8 73.6 1.0 CD2 C:HIS261 4.8 80.0 1.0 CA C:ASN259 4.8 74.1 1.0 CG C:ASN259 4.9 74.3 1.0 C C:ASN259 4.9 74.3 1.0

Zinc binding site 10 out of 14 in the Mycobacterium Tuberculosis Uvra


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of Mycobacterium Tuberculosis Uvra within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn1954 b:66.5 occ:1.00 SG D:CYS776 2.1 61.6 1.0 SG D:CYS779 2.2 55.6 1.0 SG D:CYS756 2.2 61.5 1.0 SG D:CYS753 2.7 73.4 1.0 CB D:CYS779 2.8 60.0 1.0 CB D:CYS776 2.9 60.6 1.0 N D:CYS779 3.1 60.3 1.0 CB D:CYS756 3.3 63.7 1.0 CA D:CYS779 3.5 60.3 1.0 CB D:CYS753 3.5 72.2 1.0 N D:CYS756 3.7 65.2 1.0 CA D:CYS756 4.2 64.1 1.0 CB D:ALA755 4.2 67.4 1.0 C D:VAL778 4.2 60.5 1.0 CB D:VAL778 4.3 60.4 1.0 CA D:CYS776 4.3 60.3 1.0 C D:CYS779 4.4 61.5 1.0 CG1 D:VAL778 4.5 60.4 1.0 CA D:VAL778 4.6 60.6 1.0 O D:CYS776 4.6 60.8 1.0 C D:CYS776 4.6 60.8 1.0 N D:VAL778 4.7 61.4 1.0 C D:ALA755 4.7 66.3 1.0 N D:GLN780 4.8 63.0 1.0 CA D:CYS753 4.9 72.2 1.0 CA D:ALA755 4.9 67.2 1.0 N D:ALA755 4.9 68.4 1.0 O D:GLY760 5.0 62.8 1.0

F.Rossi, J.S.Khanduja, A.Bortoluzzi, J.Houghton, P.Sander, C.Guthlein, E.O.Davis, B.Springer, E.C.Bottger, A.Relini, A.Penco, K.Muniyappa, M.Rizzi. The Biological and Structural Characterization of Mycobacterium Tuberculosis Uvra Provides Novel Insights Into Its Mechanism of Action Nucleic Acids Res. V. 39 7316 2011.
ISSN: ISSN 0305-1048
PubMed: 21622956
DOI: 10.1093/NAR/GKR271