Manganese in PDB 2iif: Single Chain Integration Host Factor Mutant Protein (SCIHF2-K45AE) in Complex with Dna

The structure of Single Chain Integration Host Factor Mutant Protein (SCIHF2-K45AE) in Complex with Dna, PDB code: 2iif was solved by Q.Bao, P.Droege, C.A.Davey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.72
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.239, 54.444, 177.865, 90.00, 90.00, 90.00
R / Rfree (%)	23.7 / 27.4

The binding sites of Manganese atom in the Single Chain Integration Host Factor Mutant Protein (SCIHF2-K45AE) in Complex with Dna (pdb code 2iif). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 8 binding sites of Manganese where determined in the Single Chain Integration Host Factor Mutant Protein (SCIHF2-K45AE) in Complex with Dna, PDB code: 2iif:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Manganese binding site 1 out of 8 in the Single Chain Integration Host Factor Mutant Protein (SCIHF2-K45AE) in Complex with Dna


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Single Chain Integration Host Factor Mutant Protein (SCIHF2-K45AE) in Complex with Dna within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn303 b:58.1 occ:1.00 OP2 D:DT28 2.2 41.6 1.0 O D:HOH946 2.4 39.8 1.0 P D:DT28 3.5 44.6 1.0 C5' D:DT28 3.9 43.0 1.0 O5' D:DT28 4.0 42.8 1.0 OP1 D:DT28 4.2 45.2 1.0 C3' D:DT28 4.4 41.4 1.0 C4' D:DT28 4.6 43.2 1.0 O3' D:DA27 4.7 46.8 1.0 OP2 D:DT29 4.7 39.1 1.0 O5' D:DA27 4.8 51.2 1.0 OP2 D:DA27 4.9 54.6 1.0

Manganese binding site 2 out of 8 in the Single Chain Integration Host Factor Mutant Protein (SCIHF2-K45AE) in Complex with Dna


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Single Chain Integration Host Factor Mutant Protein (SCIHF2-K45AE) in Complex with Dna within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn304 b:83.5 occ:0.83 O D:HOH948 2.3 57.8 1.0 N7 D:DA24 2.4 43.1 1.0 O D:HOH919 2.4 36.1 1.0 C8 D:DA24 3.4 42.6 1.0 C5 D:DA24 3.4 42.5 1.0 N6 D:DA24 3.5 39.0 1.0 C6 D:DA24 3.9 40.7 1.0 O D:HOH848 4.0 39.5 1.0 N7 D:DA23 4.0 37.7 1.0 C8 D:DA23 4.2 39.5 1.0 N9 D:DA24 4.6 42.5 1.0 C5 D:DA23 4.6 35.5 1.0 C4 D:DA24 4.6 42.4 1.0 O6 D:DG25 4.7 42.5 1.0 N9 D:DA23 4.8 41.2 1.0

Manganese binding site 3 out of 8 in the Single Chain Integration Host Factor Mutant Protein (SCIHF2-K45AE) in Complex with Dna


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Single Chain Integration Host Factor Mutant Protein (SCIHF2-K45AE) in Complex with Dna within 5.0Å range: probe atom residue distance (Å) B Occ E:Mn302 b:49.8 occ:1.00 N7 E:DG30 2.5 26.4 1.0 O E:HOH813 2.5 32.7 1.0 O E:HOH768 2.7 36.8 1.0 C8 E:DG30 3.4 27.9 1.0 C5 E:DG30 3.5 25.1 1.0 O6 E:DG30 3.7 26.7 1.0 C6 E:DG30 4.0 25.6 1.0 N9 E:DG30 4.6 29.7 1.0 C4 E:DG30 4.7 25.9 1.0

Manganese binding site 4 out of 8 in the Single Chain Integration Host Factor Mutant Protein (SCIHF2-K45AE) in Complex with Dna


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Single Chain Integration Host Factor Mutant Protein (SCIHF2-K45AE) in Complex with Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:39.9 occ:0.88 NE2 A:HIS155 2.1 23.7 1.0 O A:HOH789 2.2 22.9 1.0 O A:HOH716 2.7 17.1 1.0 CE1 A:HIS155 2.9 25.7 1.0 O C:HOH719 3.1 35.1 1.0 CD2 A:HIS155 3.3 26.9 1.0 OG A:SER153 4.0 30.2 1.0 ND1 A:HIS155 4.1 25.1 1.0 ND1 A:HIS180 4.3 30.5 1.0 CG A:HIS155 4.3 26.8 1.0 OP2 C:DA-40 4.4 45.2 1.0 CD A:LYS182 4.5 45.4 1.0 CE1 A:HIS180 4.7 31.2 1.0 O E:HOH892 4.8 31.6 1.0 CG A:HIS180 4.8 30.5 1.0

Manganese binding site 5 out of 8 in the Single Chain Integration Host Factor Mutant Protein (SCIHF2-K45AE) in Complex with Dna


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Single Chain Integration Host Factor Mutant Protein (SCIHF2-K45AE) in Complex with Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn305 b:96.5 occ:1.00 OD1 A:ASN84 2.3 63.6 1.0 O A:HOH704 2.8 25.0 1.0 CG A:ASN84 3.5 64.0 1.0 ND2 A:ASN84 4.4 65.3 1.0 CB A:ASN84 4.5 61.2 1.0 CA A:ASN84 4.6 61.5 1.0

Manganese binding site 6 out of 8 in the Single Chain Integration Host Factor Mutant Protein (SCIHF2-K45AE) in Complex with Dna


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of Single Chain Integration Host Factor Mutant Protein (SCIHF2-K45AE) in Complex with Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn306 b:0.2 occ:0.73 OD2 A:ASP58 2.3 71.4 1.0 OD1 A:ASP58 2.6 69.8 1.0 CG A:ASP58 2.7 70.3 1.0 O A:HOH886 3.0 80.5 1.0 OE2 A:GLU54 3.0 67.6 1.0 O A:HOH756 3.1 25.0 1.0 CD A:GLU54 3.9 69.0 1.0 CB A:ASP58 4.2 69.2 1.0 CG A:GLU54 4.3 65.2 1.0 OE1 A:GLU54 4.8 71.4 1.0 CD2 A:PHE57 4.8 67.0 1.0 CA A:ASP58 4.9 69.5 1.0 O A:GLU54 5.0 57.1 1.0

Manganese binding site 7 out of 8 in the Single Chain Integration Host Factor Mutant Protein (SCIHF2-K45AE) in Complex with Dna


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 7 of Single Chain Integration Host Factor Mutant Protein (SCIHF2-K45AE) in Complex with Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn307 b:81.2 occ:0.53 O A:HOH968 2.7 53.0 1.0 O D:HOH915 2.8 32.7 1.0 ND2 A:ASN95 3.7 34.0 1.0 OP1 D:DG25 3.7 49.1 1.0 OP2 D:DG25 4.2 50.0 1.0 OD2 A:ASP97 4.3 54.0 1.0 OD1 A:ASP97 4.3 52.2 1.0 P D:DG25 4.4 49.4 1.0 OE2 A:GLU89 4.5 55.5 1.0 CG A:ASN95 4.6 34.4 1.0 CG A:ASP97 4.7 50.1 1.0 CB A:ASN95 4.8 32.0 1.0 O5' D:DG25 4.8 44.5 1.0

Manganese binding site 8 out of 8 in the Single Chain Integration Host Factor Mutant Protein (SCIHF2-K45AE) in Complex with Dna


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of Single Chain Integration Host Factor Mutant Protein (SCIHF2-K45AE) in Complex with Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn308 b:58.8 occ:0.58 OE1 A:GLU89 2.4 58.2 1.0 O A:HOH840 2.5 50.7 1.0 OP1 C:DT-21 2.7 55.9 1.0 CD A:GLU89 3.4 54.9 1.0 OE2 A:GLU89 3.6 55.5 1.0 O3' C:DT-22 3.7 52.7 1.0 P C:DT-21 3.8 53.4 1.0 O C:HOH888 4.5 71.6 1.0 CB A:ALA2 4.5 78.2 1.0 CG A:GLU89 4.7 52.4 1.0 C5' C:DT-21 4.8 54.5 1.0 O5' C:DT-21 4.8 51.1 1.0 OP2 C:DT-21 4.8 55.4 1.0 CG2 A:THR4 4.9 67.0 1.0 C3' C:DT-22 4.9 51.0 1.0

Q.Bao, H.Chen, Y.Liu, J.Yan, P.Droge, C.A.Davey. A Divalent Metal-Mediated Switch Controlling Protein-Induced Dna Bending J.Mol.Biol. V. 367 731 2007.
ISSN: ISSN 0022-2836
PubMed: 17276457
DOI: 10.1016/J.JMB.2006.09.082