Manganese in PDB 1htq: Multicopy Crystallographic Structure of A Relaxed Glutamine Synthetase From Mycobacterium Tuberculosis

All present enzymatic activity of Multicopy Crystallographic Structure of A Relaxed Glutamine Synthetase From Mycobacterium Tuberculosis:
6.3.1.2;

The structure of Multicopy Crystallographic Structure of A Relaxed Glutamine Synthetase From Mycobacterium Tuberculosis, PDB code: 1htq was solved by H.S.Gill, G.M.Pfluegl, D.Eisenberg, Tb Structural Genomics Consortium(Tbsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	207.720, 257.690, 274.500, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 22.3

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Manganese atom in the Multicopy Crystallographic Structure of A Relaxed Glutamine Synthetase From Mycobacterium Tuberculosis (pdb code 1htq). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 24 binding sites of Manganese where determined in the Multicopy Crystallographic Structure of A Relaxed Glutamine Synthetase From Mycobacterium Tuberculosis, PDB code: 1htq:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Manganese binding site 1 out of 24 in the Multicopy Crystallographic Structure of A Relaxed Glutamine Synthetase From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Multicopy Crystallographic Structure of A Relaxed Glutamine Synthetase From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn470 b:24.8 occ:0.10 OE1 A:GLU129 2.7 6.9 0.1 OE1 A:GLU357 2.7 16.9 0.1 NH2 A:ARG359 2.9 7.5 0.1 OE2 A:GLU129 2.9 18.9 0.1 CD A:GLU129 3.0 16.4 0.1 NH1 A:ARG344 3.3 14.7 0.1 O3P A:AMP7475 3.3 24.8 0.1 CB A:HIS269 3.8 29.4 0.1 CD A:GLU357 3.8 60.0 0.1 CZ A:ARG359 3.9 53.5 0.1 CG A:HIS269 4.0 37.5 0.1 OE2 A:GLU357 4.1 38.4 0.1 NH1 A:ARG359 4.2 47.4 0.1 NE2 A:HIS271 4.2 41.6 0.1 CG A:GLU129 4.3 19.5 0.1 CZ A:ARG344 4.3 39.1 0.1 CD2 A:HIS269 4.4 29.1 0.1 P A:AMP7475 4.5 24.8 0.1 O1P A:AMP7475 4.5 24.8 0.1 ND1 A:HIS269 4.6 0.0 0.1 NE A:ARG344 4.8 37.5 0.1 O5' A:AMP7475 5.0 24.8 0.1 NE A:ARG359 5.0 20.0 0.1

Manganese binding site 2 out of 24 in the Multicopy Crystallographic Structure of A Relaxed Glutamine Synthetase From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Multicopy Crystallographic Structure of A Relaxed Glutamine Synthetase From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn470 b:24.8 occ:0.10 OE1 B:GLU129 2.7 6.9 0.1 OE1 B:GLU357 2.7 16.9 0.1 NH2 B:ARG359 2.9 7.5 0.1 OE2 B:GLU129 2.9 18.9 0.1 CD B:GLU129 3.0 16.4 0.1 NH1 B:ARG344 3.3 14.7 0.1 O3P B:AMP7477 3.3 24.8 0.1 CB B:HIS269 3.8 29.4 0.1 CD B:GLU357 3.8 60.0 0.1 CZ B:ARG359 3.9 53.5 0.1 CG B:HIS269 4.0 37.5 0.1 OE2 B:GLU357 4.1 38.4 0.1 NH1 B:ARG359 4.2 47.4 0.1 NE2 B:HIS271 4.2 41.6 0.1 CG B:GLU129 4.3 19.5 0.1 CZ B:ARG344 4.3 39.1 0.1 CD2 B:HIS269 4.4 29.1 0.1 P B:AMP7477 4.5 24.8 0.1 O1P B:AMP7477 4.5 24.8 0.1 ND1 B:HIS269 4.6 0.0 0.1 NE B:ARG344 4.8 37.5 0.1 O5' B:AMP7477 5.0 24.8 0.1 NE B:ARG359 5.0 20.0 0.1

Manganese binding site 3 out of 24 in the Multicopy Crystallographic Structure of A Relaxed Glutamine Synthetase From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Multicopy Crystallographic Structure of A Relaxed Glutamine Synthetase From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn470 b:24.8 occ:0.10 OE1 C:GLU129 2.7 6.9 0.1 OE1 C:GLU357 2.7 16.9 0.1 NH2 C:ARG359 2.9 7.5 0.1 OE2 C:GLU129 2.9 18.9 0.1 CD C:GLU129 3.0 16.4 0.1 NH1 C:ARG344 3.3 14.7 0.1 O3P C:AMP7479 3.3 24.8 0.1 CB C:HIS269 3.8 29.4 0.1 CD C:GLU357 3.8 60.0 0.1 CZ C:ARG359 3.9 53.5 0.1 CG C:HIS269 4.0 37.5 0.1 OE2 C:GLU357 4.1 38.4 0.1 NH1 C:ARG359 4.2 47.4 0.1 NE2 C:HIS271 4.2 41.6 0.1 CG C:GLU129 4.3 19.5 0.1 CZ C:ARG344 4.3 39.1 0.1 CD2 C:HIS269 4.4 29.1 0.1 P C:AMP7479 4.5 24.8 0.1 O1P C:AMP7479 4.5 24.8 0.1 ND1 C:HIS269 4.6 0.0 0.1 NE C:ARG344 4.8 37.5 0.1 O5' C:AMP7479 5.0 24.8 0.1 NE C:ARG359 5.0 20.0 0.1

Manganese binding site 4 out of 24 in the Multicopy Crystallographic Structure of A Relaxed Glutamine Synthetase From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Multicopy Crystallographic Structure of A Relaxed Glutamine Synthetase From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn470 b:24.8 occ:0.10 OE1 D:GLU129 2.7 6.9 0.1 OE1 D:GLU357 2.7 16.9 0.1 NH2 D:ARG359 2.9 7.5 0.1 OE2 D:GLU129 2.9 18.9 0.1 CD D:GLU129 3.0 16.4 0.1 NH1 D:ARG344 3.3 14.7 0.1 O3P D:AMP7481 3.3 24.8 0.1 CB D:HIS269 3.8 29.4 0.1 CD D:GLU357 3.8 60.0 0.1 CZ D:ARG359 3.9 53.5 0.1 CG D:HIS269 4.0 37.5 0.1 OE2 D:GLU357 4.1 38.4 0.1 NH1 D:ARG359 4.2 47.4 0.1 NE2 D:HIS271 4.2 41.6 0.1 CG D:GLU129 4.3 19.5 0.1 CZ D:ARG344 4.3 39.1 0.1 CD2 D:HIS269 4.4 29.1 0.1 P D:AMP7481 4.5 24.8 0.1 O1P D:AMP7481 4.5 24.8 0.1 ND1 D:HIS269 4.6 0.0 0.1 NE D:ARG344 4.8 37.5 0.1 O5' D:AMP7481 5.0 24.8 0.1 NE D:ARG359 5.0 20.0 0.1

Manganese binding site 5 out of 24 in the Multicopy Crystallographic Structure of A Relaxed Glutamine Synthetase From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Multicopy Crystallographic Structure of A Relaxed Glutamine Synthetase From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ E:Mn470 b:24.8 occ:0.10 OE1 E:GLU129 2.7 6.9 0.1 OE1 E:GLU357 2.7 16.9 0.1 NH2 E:ARG359 2.9 7.5 0.1 OE2 E:GLU129 2.9 18.9 0.1 CD E:GLU129 3.0 16.4 0.1 NH1 E:ARG344 3.3 14.7 0.1 O3P E:AMP7483 3.3 24.8 0.1 CB E:HIS269 3.8 29.4 0.1 CD E:GLU357 3.8 60.0 0.1 CZ E:ARG359 3.9 53.5 0.1 CG E:HIS269 4.0 37.5 0.1 OE2 E:GLU357 4.1 38.4 0.1 NH1 E:ARG359 4.2 47.4 0.1 NE2 E:HIS271 4.2 41.6 0.1 CG E:GLU129 4.3 19.5 0.1 CZ E:ARG344 4.3 39.1 0.1 CD2 E:HIS269 4.4 29.1 0.1 P E:AMP7483 4.5 24.8 0.1 O1P E:AMP7483 4.5 24.8 0.1 ND1 E:HIS269 4.6 0.0 0.1 NE E:ARG344 4.8 37.5 0.1 O5' E:AMP7483 5.0 24.8 0.1 NE E:ARG359 5.0 20.0 0.1

Manganese binding site 6 out of 24 in the Multicopy Crystallographic Structure of A Relaxed Glutamine Synthetase From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of Multicopy Crystallographic Structure of A Relaxed Glutamine Synthetase From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ F:Mn470 b:24.8 occ:0.10 OE1 F:GLU129 2.7 6.9 0.1 OE1 F:GLU357 2.7 16.9 0.1 NH2 F:ARG359 2.9 7.5 0.1 OE2 F:GLU129 2.9 18.9 0.1 CD F:GLU129 3.0 16.4 0.1 NH1 F:ARG344 3.3 14.7 0.1 O3P F:AMP7485 3.3 24.8 0.1 CB F:HIS269 3.8 29.4 0.1 CD F:GLU357 3.8 60.0 0.1 CZ F:ARG359 3.9 53.5 0.1 CG F:HIS269 4.0 37.5 0.1 OE2 F:GLU357 4.1 38.4 0.1 NH1 F:ARG359 4.2 47.4 0.1 NE2 F:HIS271 4.2 41.6 0.1 CG F:GLU129 4.3 19.5 0.1 CZ F:ARG344 4.3 39.1 0.1 CD2 F:HIS269 4.4 29.1 0.1 P F:AMP7485 4.5 24.8 0.1 O1P F:AMP7485 4.5 24.8 0.1 ND1 F:HIS269 4.6 0.0 0.1 NE F:ARG344 4.8 37.5 0.1 O5' F:AMP7485 5.0 24.8 0.1 NE F:ARG359 5.0 20.0 0.1

Manganese binding site 7 out of 24 in the Multicopy Crystallographic Structure of A Relaxed Glutamine Synthetase From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 7 of Multicopy Crystallographic Structure of A Relaxed Glutamine Synthetase From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ G:Mn470 b:24.8 occ:0.10 OE1 G:GLU129 2.7 6.9 0.1 OE1 G:GLU357 2.7 16.9 0.1 NH2 G:ARG359 2.9 7.5 0.1 OE2 G:GLU129 2.9 18.9 0.1 CD G:GLU129 3.0 16.4 0.1 NH1 G:ARG344 3.3 14.7 0.1 O3P G:AMP7487 3.3 24.8 0.1 CB G:HIS269 3.8 29.4 0.1 CD G:GLU357 3.8 60.0 0.1 CZ G:ARG359 3.9 53.5 0.1 CG G:HIS269 4.0 37.5 0.1 OE2 G:GLU357 4.1 38.4 0.1 NH1 G:ARG359 4.2 47.4 0.1 NE2 G:HIS271 4.2 41.6 0.1 CG G:GLU129 4.3 19.5 0.1 CZ G:ARG344 4.3 39.1 0.1 CD2 G:HIS269 4.4 29.1 0.1 P G:AMP7487 4.5 24.8 0.1 O1P G:AMP7487 4.5 24.8 0.1 ND1 G:HIS269 4.6 0.0 0.1 NE G:ARG344 4.8 37.5 0.1 O5' G:AMP7487 5.0 24.8 0.1 NE G:ARG359 5.0 20.0 0.1

Manganese binding site 8 out of 24 in the Multicopy Crystallographic Structure of A Relaxed Glutamine Synthetase From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of Multicopy Crystallographic Structure of A Relaxed Glutamine Synthetase From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ H:Mn470 b:24.8 occ:0.10 OE1 H:GLU129 2.7 6.9 0.1 OE1 H:GLU357 2.7 16.9 0.1 NH2 H:ARG359 2.9 7.5 0.1 OE2 H:GLU129 2.9 18.9 0.1 CD H:GLU129 3.0 16.4 0.1 NH1 H:ARG344 3.3 14.7 0.1 O3P H:AMP7489 3.3 24.8 0.1 CB H:HIS269 3.8 29.4 0.1 CD H:GLU357 3.8 60.0 0.1 CZ H:ARG359 3.9 53.5 0.1 CG H:HIS269 4.0 37.5 0.1 OE2 H:GLU357 4.1 38.4 0.1 NH1 H:ARG359 4.2 47.4 0.1 NE2 H:HIS271 4.2 41.6 0.1 CG H:GLU129 4.3 19.5 0.1 CZ H:ARG344 4.3 39.1 0.1 CD2 H:HIS269 4.4 29.1 0.1 P H:AMP7489 4.5 24.8 0.1 O1P H:AMP7489 4.5 24.8 0.1 ND1 H:HIS269 4.6 0.0 0.1 NE H:ARG344 4.8 37.5 0.1 O5' H:AMP7489 5.0 24.8 0.1 NE H:ARG359 5.0 20.0 0.1

Manganese binding site 9 out of 24 in the Multicopy Crystallographic Structure of A Relaxed Glutamine Synthetase From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 9 of Multicopy Crystallographic Structure of A Relaxed Glutamine Synthetase From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ I:Mn470 b:24.8 occ:0.10 OE1 I:GLU129 2.7 6.9 0.1 OE1 I:GLU357 2.7 16.9 0.1 NH2 I:ARG359 2.9 7.5 0.1 OE2 I:GLU129 2.9 18.9 0.1 CD I:GLU129 3.0 16.4 0.1 NH1 I:ARG344 3.3 14.7 0.1 O3P I:AMP7491 3.3 24.8 0.1 CB I:HIS269 3.8 29.4 0.1 CD I:GLU357 3.8 60.0 0.1 CZ I:ARG359 3.9 53.5 0.1 CG I:HIS269 4.0 37.5 0.1 OE2 I:GLU357 4.1 38.4 0.1 NH1 I:ARG359 4.2 47.4 0.1 NE2 I:HIS271 4.2 41.6 0.1 CG I:GLU129 4.3 19.5 0.1 CZ I:ARG344 4.3 39.1 0.1 CD2 I:HIS269 4.4 29.1 0.1 P I:AMP7491 4.5 24.8 0.1 O1P I:AMP7491 4.5 24.8 0.1 ND1 I:HIS269 4.6 0.0 0.1 NE I:ARG344 4.8 37.5 0.1 O5' I:AMP7491 5.0 24.8 0.1 NE I:ARG359 5.0 20.0 0.1

Manganese binding site 10 out of 24 in the Multicopy Crystallographic Structure of A Relaxed Glutamine Synthetase From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 10 of Multicopy Crystallographic Structure of A Relaxed Glutamine Synthetase From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ J:Mn470 b:24.8 occ:0.10 OE1 J:GLU129 2.7 6.9 0.1 OE1 J:GLU357 2.7 16.9 0.1 NH2 J:ARG359 2.9 7.5 0.1 OE2 J:GLU129 2.9 18.9 0.1 CD J:GLU129 3.0 16.4 0.1 NH1 J:ARG344 3.3 14.7 0.1 O3P J:AMP7493 3.3 24.8 0.1 CB J:HIS269 3.8 29.4 0.1 CD J:GLU357 3.8 60.0 0.1 CZ J:ARG359 3.9 53.5 0.1 CG J:HIS269 4.0 37.5 0.1 OE2 J:GLU357 4.1 38.4 0.1 NH1 J:ARG359 4.2 47.4 0.1 NE2 J:HIS271 4.2 41.6 0.1 CG J:GLU129 4.3 19.5 0.1 CZ J:ARG344 4.3 39.1 0.1 CD2 J:HIS269 4.4 29.1 0.1 P J:AMP7493 4.5 24.8 0.1 O1P J:AMP7493 4.5 24.8 0.1 ND1 J:HIS269 4.6 0.0 0.1 NE J:ARG344 4.8 37.5 0.1 O5' J:AMP7493 5.0 24.8 0.1 NE J:ARG359 5.0 20.0 0.1

H.S.Gill, G.M.Pfluegl, D.Eisenberg. Multicopy Crystallographic Refinement of A Relaxed Glutamine Synthetase From Mycobacterium Tuberculosis Highlights Flexible Loops in the Enzymatic Mechanism and Its Regulation. Biochemistry V. 41 9863 2002.
ISSN: ISSN 0006-2960
PubMed: 12146952
DOI: 10.1021/BI020254S