Magnesium in PDB 1ofi: Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae)

The structure of Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae), PDB code: 1ofi was solved by A.R.Kwon, B.M.Kessler, H.S.Overkleeft, D.B.Mckay, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.0 / 3.2
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	190.177, 190.177, 114.511, 90.00, 90.00, 120.00
R / Rfree (%)	23.2 / 32.7

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Magnesium atom in the Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae) (pdb code 1ofi). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 12 binding sites of Magnesium where determined in the Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae), PDB code: 1ofi:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 12 in the Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg451 b:52.2 occ:1.00 O A:HOH2007 2.0 52.2 1.0 O A:HOH2001 2.1 52.2 1.0 O A:HOH2002 2.1 52.2 1.0 O A:HOH2006 2.1 52.2 1.0 O1B A:ADP450 2.3 46.6 1.0 O2 A:PO4452 2.3 100.0 1.0 P A:PO4452 3.4 0.7 1.0 O1 A:PO4452 3.5 98.1 1.0 PB A:ADP450 3.7 34.6 1.0 OD2 A:ASP257 3.8 60.0 1.0 O3B A:ADP450 4.0 36.1 1.0 OD1 A:ASP257 4.1 58.6 1.0 O4 A:PO4452 4.1 99.5 1.0 CG2 A:THR59 4.4 29.2 1.0 CG A:ASP257 4.4 57.3 1.0 NZ A:LYS63 4.4 11.3 1.0 O2B A:ADP450 4.6 33.3 1.0 O3 A:PO4452 4.6 99.4 1.0 O2A A:ADP450 4.7 23.9 1.0 MG A:MG453 4.7 82.6 1.0 OE1 A:GLU258 4.8 0.1 1.0 OG1 A:THR64 4.8 19.7 1.0 O3A A:ADP450 4.9 29.2 1.0 CA A:THR59 4.9 20.8 1.0

Magnesium binding site 2 out of 12 in the Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg453 b:82.6 occ:1.00 O1 A:PO4452 1.9 98.1 1.0 O A:HOH2003 2.1 82.6 1.0 OE1 A:GLU258 2.5 0.1 1.0 O A:HOH2007 3.1 52.2 1.0 P A:PO4452 3.3 0.7 1.0 CD A:GLU258 3.5 0.6 1.0 O3 A:PO4452 3.7 99.4 1.0 OE2 A:GLU258 3.8 0.5 1.0 O2 A:PO4452 4.1 100.0 1.0 O4 A:PO4452 4.2 99.5 1.0 CG2 A:THR59 4.5 29.2 1.0 MG A:MG451 4.7 52.2 1.0 CG A:GLU258 4.8 1.0 1.0

Magnesium binding site 3 out of 12 in the Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg451 b:91.3 occ:1.00 O1B B:ADP450 1.7 54.9 1.0 O B:HOH2001 2.0 91.8 1.0 O B:HOH2006 2.1 91.3 1.0 O B:HOH2004 2.1 91.3 1.0 O B:HOH2005 2.1 91.3 1.0 O2 B:PO4452 2.6 0.6 1.0 PB B:ADP450 3.2 42.9 1.0 P B:PO4452 3.3 0.4 1.0 O4 B:PO4452 3.4 0.2 1.0 O1 B:PO4452 3.5 0.7 1.0 O2A B:ADP450 3.7 32.2 1.0 O2B B:ADP450 3.7 41.6 1.0 OD2 B:ASP257 3.9 97.7 1.0 O3B B:ADP450 3.9 44.4 1.0 N B:GLY60 4.3 23.4 1.0 OE1 C:GLU322 4.4 80.0 1.0 O3A B:ADP450 4.4 37.5 1.0 OG1 B:THR64 4.5 10.1 1.0 OD1 B:ASP257 4.5 96.3 1.0 CG C:GLU322 4.6 71.7 1.0 PA B:ADP450 4.6 31.4 1.0 CG B:ASP257 4.7 95.0 1.0 CA B:GLY60 4.8 23.6 1.0 O3 B:PO4452 4.8 0.0 1.0 NZ B:LYS80 4.8 18.3 1.0 CD C:GLU322 5.0 78.4 1.0 NZ B:LYS63 5.0 11.7 1.0

Magnesium binding site 4 out of 12 in the Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg453 b:73.6 occ:1.00 O C:HOH2004 2.0 73.6 1.0 O B:HOH2007 2.1 73.6 1.0 O B:HOH2002 2.1 73.6 1.0 OE1 B:GLU258 2.4 86.5 1.0 O1 B:PO4452 2.7 0.7 1.0 OE1 C:GLU322 2.9 80.0 1.0 O4 B:PO4452 3.0 0.2 1.0 P B:PO4452 3.1 0.4 1.0 CD B:GLU258 3.2 86.0 1.0 O3 B:PO4452 3.3 0.0 1.0 CG B:GLU258 3.8 81.4 1.0 OE2 B:GLU258 4.1 88.9 1.0 CD C:GLU322 4.1 78.4 1.0 OG1 B:THR59 4.1 30.9 1.0 NH2 C:ARG280 4.3 80.3 1.0 OE2 C:GLU322 4.5 81.4 1.0 O2 B:PO4452 4.6 0.6 1.0 O B:HOH2001 4.7 91.8 1.0 CE B:LYS261 4.7 97.1 1.0 CZ C:ARG280 4.9 80.3 1.0

Magnesium binding site 5 out of 12 in the Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae) within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg451 b:95.0 occ:1.00 O C:HOH2007 2.0 95.0 1.0 O C:HOH2002 2.1 95.0 1.0 O C:HOH2001 2.1 95.0 1.0 O C:HOH2005 2.1 95.0 1.0 O1B C:ADP450 2.2 60.3 1.0 O2 C:PO4452 3.0 0.6 1.0 O1 C:PO4452 3.1 0.7 1.0 P C:PO4452 3.3 0.3 1.0 O4 C:PO4452 3.3 0.1 1.0 PB C:ADP450 3.8 48.4 1.0 O2A C:ADP450 3.8 37.6 1.0 OD2 C:ASP257 3.9 77.5 1.0 NZ C:LYS80 4.3 31.3 1.0 OD1 C:ASP257 4.4 82.1 1.0 O2B C:ADP450 4.4 47.0 1.0 O3B C:ADP450 4.4 49.9 1.0 CG C:ASP257 4.6 77.4 1.0 OG1 C:THR64 4.6 29.2 1.0 OE1 C:GLU258 4.7 88.0 1.0 O3 C:PO4452 4.8 0.9 1.0 O3A C:ADP450 4.9 42.9 1.0 N C:GLY60 5.0 11.1 1.0 PA C:ADP450 5.0 36.9 1.0

Magnesium binding site 6 out of 12 in the Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae) within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg453 b:55.6 occ:1.00 O C:HOH2006 2.0 55.6 1.0 O C:HOH2003 2.1 55.6 1.0 O1 C:PO4452 2.4 0.7 1.0 OE1 C:GLU258 2.6 88.0 1.0 O3 C:PO4452 3.5 0.9 1.0 P C:PO4452 3.5 0.3 1.0 CD C:GLU258 3.6 87.5 1.0 OE2 C:GLU258 3.9 91.0 1.0 OG1 C:THR59 4.0 48.7 1.0 O C:HOH2007 4.1 95.0 1.0 CG2 C:THR59 4.4 44.6 1.0 O4 C:PO4452 4.5 0.1 1.0 O2 C:PO4452 4.5 0.6 1.0 CB C:THR59 4.8 45.5 1.0 CG C:GLU258 5.0 83.0 1.0

Magnesium binding site 7 out of 12 in the Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae) within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg454 b:48.7 occ:1.00 O G:CYS160 2.5 41.0 1.0 O G:THR163 2.6 50.2 1.0 O G:GLY157 2.6 57.7 1.0 C G:CYS160 3.5 41.0 1.0 C G:THR163 3.5 49.9 1.0 C G:GLY157 3.7 57.5 1.0 CA G:VAL161 3.7 53.5 1.0 C G:VAL161 3.9 54.1 1.0 N G:THR163 4.0 46.6 1.0 N G:VAL161 4.0 52.9 1.0 O G:VAL161 4.1 54.9 1.0 CA G:GLY157 4.2 56.4 1.0 CA G:THR163 4.3 47.8 1.0 N G:ASN164 4.4 41.2 1.0 N G:PHE162 4.5 30.1 1.0 CA G:ASN164 4.5 43.7 1.0 CA G:CYS160 4.7 41.0 1.0 CB G:THR163 4.7 40.5 1.0 N G:CYS160 4.8 42.4 1.0 N G:ASP158 4.9 54.5 1.0

Magnesium binding site 8 out of 12 in the Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae) within 5.0Å range: probe atom residue distance (Å) B Occ H:Mg454 b:46.1 occ:1.00 O H:THR163 2.5 77.2 1.0 O H:GLY157 2.8 47.9 1.0 O H:CYS160 3.0 49.8 1.0 C H:THR163 3.5 76.9 1.0 O H:VAL161 3.8 52.0 1.0 C H:GLY157 3.9 47.6 1.0 CA H:VAL161 4.0 50.6 1.0 C H:VAL161 4.0 51.2 1.0 C H:CYS160 4.0 49.8 1.0 CA H:ASN164 4.2 58.6 1.0 N H:THR163 4.2 73.6 1.0 N H:ASN164 4.3 56.0 1.0 CA H:GLY157 4.4 46.6 1.0 CA H:THR163 4.5 74.8 1.0 N H:VAL161 4.5 50.0 1.0 NE2 H:GLN19 4.7 30.0 1.0 N H:PHE162 4.9 35.6 1.0

Magnesium binding site 9 out of 12 in the Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae) within 5.0Å range: probe atom residue distance (Å) B Occ I:Mg454 b:48.7 occ:1.00 O I:GLY157 2.6 60.6 1.0 O I:CYS160 2.7 43.8 1.0 O I:THR163 2.9 76.0 1.0 C I:GLY157 3.7 60.2 1.0 C I:CYS160 3.7 44.7 1.0 CA I:VAL161 3.8 59.7 1.0 O I:VAL161 4.1 58.9 1.0 C I:THR163 4.1 76.2 1.0 C I:VAL161 4.2 59.1 1.0 N I:VAL161 4.2 59.6 1.0 CA I:GLY157 4.3 59.3 1.0 N I:ASP158 4.7 58.0 1.0 CA I:ASN164 4.7 37.0 1.0 N I:THR163 4.9 74.5 1.0 N I:ASN164 4.9 34.7 1.0 CA I:CYS160 5.0 44.7 1.0 CA I:ASP158 5.0 57.6 1.0 N I:CYS160 5.0 45.0 1.0 CB I:VAL161 5.0 42.7 1.0

Magnesium binding site 10 out of 12 in the Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae) within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg454 b:47.1 occ:1.00 O L:CYS160 2.0 32.4 1.0 O L:GLY157 2.4 63.1 1.0 O L:THR163 2.4 46.9 1.0 C L:CYS160 3.1 32.2 1.0 C L:GLY157 3.5 62.8 1.0 CA L:VAL161 3.5 51.0 1.0 C L:THR163 3.6 46.6 1.0 N L:VAL161 3.8 49.2 1.0 N L:THR163 3.9 45.1 1.0 N L:PHE162 4.0 50.4 1.0 C L:VAL161 4.0 50.8 1.0 CA L:GLY157 4.1 61.7 1.0 N L:CYS160 4.3 32.6 1.0 CA L:THR163 4.3 45.7 1.0 CA L:CYS160 4.3 33.0 1.0 N L:ILE159 4.5 66.1 1.0 N L:ASP158 4.6 33.8 1.0 N L:ASN164 4.6 48.3 1.0 C L:ILE159 4.6 65.9 1.0 CA L:ASN164 4.8 49.0 1.0 CB L:THR163 4.8 52.1 1.0 CB L:VAL161 4.8 32.7 1.0 C L:PHE162 4.8 51.8 1.0 OE1 L:GLN19 4.9 60.2 1.0 CA L:ASP158 4.9 35.6 1.0 O L:VAL161 4.9 50.5 1.0 CB L:CYS160 4.9 53.7 1.0 C L:ASP158 5.0 35.0 1.0 O L:ILE159 5.0 65.0 1.0 CA L:PHE162 5.0 51.5 1.0

A.R.Kwon, B.M.Kessler, H.S.Overkleeft, D.B.Mckay. Structure and Reactivity of An Asymmetric Complex Between Hslv and I-Domain Deleted Hslu, A Prokaryotic Homolog of the Eukaryotic Proteasome J.Mol.Biol. V. 330 185 2003.
ISSN: ISSN 0022-2836
PubMed: 12823960
DOI: 10.1016/S0022-2836(03)00580-1