Manganese in PDB 7uk9: Integrin ALAPHIIBBETA3 Complex with Lamifiban (Mn)

The structure of Integrin ALAPHIIBBETA3 Complex with Lamifiban (Mn), PDB code: 7uk9 was solved by F.-Y.Lin, J.Zhu, J.Zhu, T.A.Springer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.97 / 2.60
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	257.92, 144.62, 105.13, 90, 90, 90
R / Rfree (%)	22.3 / 24.2

The structure of Integrin ALAPHIIBBETA3 Complex with Lamifiban (Mn) also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Calcium	(Ca)	8 atoms

The binding sites of Manganese atom in the Integrin ALAPHIIBBETA3 Complex with Lamifiban (Mn) (pdb code 7uk9). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 6 binding sites of Manganese where determined in the Integrin ALAPHIIBBETA3 Complex with Lamifiban (Mn), PDB code: 7uk9:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6;

Manganese binding site 1 out of 6 in the Integrin ALAPHIIBBETA3 Complex with Lamifiban (Mn)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Integrin ALAPHIIBBETA3 Complex with Lamifiban (Mn) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn2001 b:55.0 occ:1.00 O10 B:NB92005 2.1 60.2 1.0 O B:HOH2105 2.1 55.9 1.0 OE2 B:GLU220 2.1 54.1 1.0 OG B:SER123 2.2 61.5 1.0 O B:HOH2134 2.2 56.4 1.0 OG B:SER121 2.2 58.5 1.0 CB B:SER121 3.1 58.3 1.0 CD B:GLU220 3.2 53.2 1.0 C09 B:NB92005 3.3 60.2 1.0 CB B:SER123 3.4 62.0 1.0 CG B:GLU220 3.7 52.6 1.0 O07 B:NB92005 3.9 60.2 1.0 N B:SER123 4.1 62.3 1.0 OD1 B:ASP251 4.1 58.9 1.0 O11 B:NB92005 4.1 60.2 1.0 C08 B:NB92005 4.2 60.2 1.0 O B:ALA218 4.3 53.4 1.0 OD2 B:ASP119 4.3 55.8 1.0 OE1 B:GLU220 4.3 52.9 1.0 CA B:SER123 4.3 62.8 1.0 CA B:SER121 4.4 59.1 1.0 O B:HOH2165 4.4 57.1 1.0 OD1 B:ASP119 4.4 56.1 1.0 C B:SER121 4.5 59.8 1.0 C06 B:NB92005 4.6 60.2 1.0 N B:TYR122 4.7 62.9 1.0 CG B:ASP119 4.8 56.2 1.0 CB B:ALA252 4.8 57.5 1.0 ND2 B:ASN215 4.8 55.2 1.0 C01 B:NB92005 4.9 60.2 1.0 O B:SER121 4.9 60.5 1.0

Manganese binding site 2 out of 6 in the Integrin ALAPHIIBBETA3 Complex with Lamifiban (Mn)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Integrin ALAPHIIBBETA3 Complex with Lamifiban (Mn) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn2002 b:80.4 occ:0.44 OD1 B:ASP127 2.2 77.0 1.0 O B:HOH2108 2.3 74.0 1.0 O B:HOH2124 3.0 67.2 1.0 O B:MET335 3.1 79.7 1.0 CB B:ASP126 3.4 79.6 1.0 CG B:ASP127 3.4 76.0 1.0 N B:ASP127 3.6 78.1 1.0 O B:SER123 3.6 64.1 1.0 N B:ASP126 3.8 77.0 1.0 OD2 B:ASP126 3.9 81.0 1.0 CA B:ASP126 3.9 78.3 1.0 C B:ASP126 4.0 77.4 1.0 CG B:ASP126 4.1 80.8 1.0 OD2 B:ASP127 4.1 75.4 1.0 C B:MET335 4.3 80.5 1.0 CB B:ASP127 4.5 75.8 1.0 CA B:ASP127 4.5 77.4 1.0 C B:MET124 4.5 66.7 1.0 CA B:MET124 4.5 65.8 1.0 N B:LYS125 4.6 70.2 1.0 C B:SER123 4.6 63.5 1.0 CA B:ASP336 4.7 79.2 1.0 C B:LYS125 4.9 72.5 1.0 O B:MET124 4.9 67.4 1.0 O B:ASP126 5.0 78.3 1.0 N B:ASP336 5.0 79.4 1.0

Manganese binding site 3 out of 6 in the Integrin ALAPHIIBBETA3 Complex with Lamifiban (Mn)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Integrin ALAPHIIBBETA3 Complex with Lamifiban (Mn) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn2003 b:53.9 occ:1.00 O B:PRO219 2.1 52.3 1.0 OD1 B:ASP217 2.2 54.2 1.0 OD1 B:ASN215 2.2 54.4 1.0 OE1 B:GLU220 2.2 52.9 1.0 OD2 B:ASP158 2.2 51.5 1.0 O B:ASP217 2.2 55.1 1.0 CG B:ASP217 3.1 54.3 1.0 C B:PRO219 3.2 52.2 1.0 CG B:ASN215 3.2 54.9 1.0 CG B:ASP158 3.3 51.1 1.0 C B:ASP217 3.3 55.8 1.0 CD B:GLU220 3.4 53.2 1.0 ND2 B:ASN215 3.6 55.2 1.0 OD2 B:ASP217 3.7 53.6 1.0 CA B:GLU220 3.7 51.2 1.0 CB B:ASP158 3.9 51.5 1.0 N B:GLU220 3.9 51.6 1.0 CA B:ASP217 4.1 56.2 1.0 N B:ASP217 4.1 56.5 1.0 OE2 B:GLU220 4.2 54.1 1.0 CB B:ASP217 4.2 55.4 1.0 C B:ALA218 4.2 53.6 1.0 N B:PRO219 4.2 53.7 1.0 CA B:PRO219 4.3 52.8 1.0 O B:ALA218 4.3 53.4 1.0 CG B:GLU220 4.3 52.6 1.0 NE2 B:HIS255 4.3 51.3 1.0 OD1 B:ASP158 4.4 50.6 1.0 N B:ALA218 4.4 54.8 1.0 CB B:GLU220 4.4 51.6 1.0 CB B:ASN215 4.5 55.5 1.0 CD2 B:HIS255 4.7 50.7 1.0 CA B:ALA218 4.7 54.8 1.0 CD B:PRO219 4.9 53.9 1.0 C B:GLU220 4.9 50.5 1.0 CD1 B:TYR164 5.0 52.1 1.0

Manganese binding site 4 out of 6 in the Integrin ALAPHIIBBETA3 Complex with Lamifiban (Mn)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Integrin ALAPHIIBBETA3 Complex with Lamifiban (Mn) within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn2001 b:75.3 occ:1.00 O10 D:NB92005 2.1 80.7 1.0 O D:HOH2105 2.2 77.8 1.0 O D:HOH2127 2.2 76.5 1.0 OG D:SER121 2.2 78.4 1.0 OE2 D:GLU220 2.2 74.7 1.0 OG D:SER123 2.3 82.2 1.0 CB D:SER121 3.1 78.1 1.0 C09 D:NB92005 3.4 80.7 1.0 CD D:GLU220 3.4 73.4 1.0 CB D:SER123 3.5 83.5 1.0 CG D:GLU220 4.0 72.8 1.0 N D:SER123 4.1 84.2 1.0 O07 D:NB92005 4.1 80.7 1.0 O11 D:NB92005 4.1 80.7 1.0 OD1 D:ASP251 4.2 78.5 1.0 O D:HOH2135 4.3 74.9 1.0 C08 D:NB92005 4.4 80.7 1.0 CA D:SER121 4.4 79.3 1.0 CA D:SER123 4.4 84.8 1.0 OE1 D:GLU220 4.4 72.9 1.0 OD2 D:ASP119 4.5 76.4 1.0 O D:ALA218 4.5 72.6 1.0 OD1 D:ASP119 4.5 77.5 1.0 C06 D:NB92005 4.5 80.7 1.0 C D:SER121 4.6 80.8 1.0 N D:TYR122 4.6 82.8 1.0 CB D:ALA252 4.6 75.1 1.0 C01 D:NB92005 4.8 80.7 1.0 CG D:ASP119 4.9 77.2 1.0 ND2 D:ASN215 5.0 76.9 1.0

Manganese binding site 5 out of 6 in the Integrin ALAPHIIBBETA3 Complex with Lamifiban (Mn)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Integrin ALAPHIIBBETA3 Complex with Lamifiban (Mn) within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn2002 b:98.2 occ:1.00 OD1 D:ASP126 2.2 90.4 1.0 OD1 D:ASP127 2.2 90.0 1.0 O D:HOH2120 2.3 90.2 1.0 O D:MET335 2.4 90.4 1.0 CG D:ASP126 3.0 92.0 1.0 O D:SER123 3.1 87.1 1.0 OD2 D:ASP126 3.2 92.7 1.0 CG D:ASP127 3.4 89.7 1.0 C D:MET335 3.6 91.0 1.0 N D:ASP127 4.0 92.5 1.0 OD2 D:ASP127 4.1 88.8 1.0 CA D:ASP336 4.2 87.9 1.0 C D:SER123 4.3 85.9 1.0 CA D:MET124 4.3 87.0 1.0 N D:ASP336 4.4 87.5 1.0 CB D:ASP126 4.4 93.4 1.0 CB D:ASP127 4.5 90.3 1.0 N D:ASP126 4.6 91.2 1.0 CA D:ASP127 4.7 92.3 1.0 C D:ASP126 4.7 92.6 1.0 CA D:MET335 4.7 90.9 1.0 C D:MET124 4.7 88.5 1.0 O D:HOH2132 4.7 86.4 1.0 N D:MET124 4.8 86.1 1.0 CA D:ASP126 4.8 92.8 1.0 CB D:ASP336 4.8 90.2 1.0 OD2 D:ASP251 4.9 81.1 1.0 N D:LYS125 4.9 89.0 1.0 CB D:MET335 5.0 92.3 1.0

Manganese binding site 6 out of 6 in the Integrin ALAPHIIBBETA3 Complex with Lamifiban (Mn)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of Integrin ALAPHIIBBETA3 Complex with Lamifiban (Mn) within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn2003 b:72.6 occ:1.00 O D:PRO219 2.1 71.1 1.0 OD1 D:ASP217 2.2 73.0 1.0 OE1 D:GLU220 2.2 72.9 1.0 OD2 D:ASP158 2.2 69.2 1.0 OD1 D:ASN215 2.2 74.9 1.0 O D:ASP217 2.2 74.4 1.0 CG D:ASP217 3.1 72.5 1.0 C D:PRO219 3.2 70.9 1.0 CD D:GLU220 3.3 73.4 1.0 CG D:ASN215 3.3 76.1 1.0 C D:ASP217 3.3 74.8 1.0 CG D:ASP158 3.3 69.0 1.0 OD2 D:ASP217 3.7 71.5 1.0 CA D:GLU220 3.7 70.7 1.0 ND2 D:ASN215 3.8 76.9 1.0 N D:GLU220 3.9 70.6 1.0 CB D:ASP158 3.9 70.0 1.0 CA D:ASP217 4.0 74.9 1.0 OE2 D:GLU220 4.0 74.7 1.0 C D:ALA218 4.1 72.4 1.0 N D:ASP217 4.1 75.6 1.0 O D:ALA218 4.1 72.6 1.0 CB D:ASP217 4.1 73.5 1.0 CG D:GLU220 4.2 72.8 1.0 N D:PRO219 4.2 72.1 1.0 CA D:PRO219 4.3 71.2 1.0 N D:ALA218 4.3 73.4 1.0 CB D:GLU220 4.3 71.7 1.0 OD1 D:ASP158 4.4 68.1 1.0 NE2 D:HIS255 4.5 68.8 1.0 CB D:ASN215 4.6 77.0 1.0 CA D:ALA218 4.6 73.6 1.0 CD2 D:HIS255 4.7 68.5 1.0 C D:GLU220 4.8 69.8 1.0

F.-Y.Lin, J.Zhu, J.Zhu, T.A.Springer. Integrin Alpha Iib Beta 3 Headpiece with Fab Complex with Lamifiban (Mn) To Be Published.