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Manganese in PDB 7u60: Integrin ALAPHIIBBETA3 Complex with Crgdfv

Protein crystallography data

The structure of Integrin ALAPHIIBBETA3 Complex with Crgdfv, PDB code: 7u60 was solved by J.Zhu, F.Y.Lin, J.Zhu, T.A.Springer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.60 / 2.55
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 260.89, 145.77, 105.16, 90, 90, 90
R / Rfree (%) 18.8 / 22.5

Other elements in 7u60:

The structure of Integrin ALAPHIIBBETA3 Complex with Crgdfv also contains other interesting chemical elements:

Calcium (Ca) 8 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Integrin ALAPHIIBBETA3 Complex with Crgdfv (pdb code 7u60). 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 Crgdfv, PDB code: 7u60:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6;

Manganese binding site 1 out of 6 in 7u60

Go back to Manganese Binding Sites List in 7u60
Manganese binding site 1 out of 6 in the Integrin ALAPHIIBBETA3 Complex with Crgdfv


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 Crgdfv within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn2001

b:87.9
occ:1.00
OG B:SER121 2.1 21.2 1.0
O B:HOH2122 2.2 13.6 1.0
OG B:SER123 2.2 36.3 1.0
O B:HOH2176 2.2 22.9 1.0
OE2 B:GLU220 2.2 24.8 1.0
OD2 M:ASP3 2.4 43.6 1.0
CB B:SER121 2.9 21.0 1.0
CG M:ASP3 3.2 43.1 1.0
CD B:GLU220 3.3 28.9 1.0
CB B:SER123 3.6 33.5 1.0
CB M:ASP3 3.7 47.9 1.0
CG B:GLU220 3.7 28.9 1.0
CA M:ASP3 3.9 49.5 1.0
OD1 M:ASP3 4.1 43.1 1.0
N B:SER123 4.2 26.1 1.0
OD1 B:ASP251 4.2 34.1 1.0
CA B:SER121 4.2 22.1 1.0
O M:HOH103 4.3 39.3 1.0
OE1 B:GLU220 4.4 22.5 1.0
OD2 B:ASP119 4.4 21.4 1.0
O B:ALA218 4.4 35.1 1.0
OD1 B:ASP119 4.4 20.3 1.0
CA B:SER123 4.5 35.7 1.0
C B:SER121 4.5 31.4 1.0
CB B:ALA252 4.7 21.0 1.0
N B:TYR122 4.7 26.8 1.0
C M:ASP3 4.8 57.3 1.0
ND2 B:ASN215 4.8 20.4 1.0
CG B:ASP119 4.9 23.6 1.0

Manganese binding site 2 out of 6 in 7u60

Go back to Manganese Binding Sites List in 7u60
Manganese binding site 2 out of 6 in the Integrin ALAPHIIBBETA3 Complex with Crgdfv


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 Crgdfv within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn2002

b:159.8
occ:1.00
OD1 B:ASP126 2.2 46.4 0.4
OD2 B:ASP126 2.2 48.5 0.4
OD1 B:ASP127 2.2 59.8 1.0
O B:HOH2190 2.2 50.9 1.0
O B:HOH2113 2.2 62.1 1.0
CG B:ASP126 2.4 49.9 0.4
O B:MET335 2.7 70.5 1.0
CG B:ASP127 3.3 52.6 1.0
O B:SER123 3.5 47.8 1.0
OD2 B:ASP127 3.7 43.6 1.0
CB B:ASP126 3.9 51.3 0.4
C B:MET335 4.0 56.4 1.0
CB B:ASP126 4.1 51.6 0.6
O B:HOH2163 4.1 42.4 1.0
N B:ASP127 4.1 53.4 1.0
CA B:MET124 4.2 39.8 1.0
N B:ASP126 4.3 47.7 1.0
CA B:ASP336 4.4 42.3 1.0
C B:MET124 4.4 40.1 1.0
CA B:ASP126 4.5 49.7 0.4
CB B:ASP127 4.5 37.4 1.0
C B:SER123 4.5 43.7 1.0
CA B:ASP126 4.5 49.6 0.6
OD2 B:ASP126 4.5 52.5 0.6
C B:ASP126 4.6 50.5 1.0
N B:ASP336 4.6 45.2 1.0
N B:LYS125 4.7 40.4 1.0
OD2 B:ASP251 4.8 33.9 1.0
O B:MET124 4.8 33.4 1.0
CA B:ASP127 4.8 38.3 1.0
CG B:ASP126 4.8 51.7 0.6
N B:MET124 4.9 44.5 1.0

Manganese binding site 3 out of 6 in 7u60

Go back to Manganese Binding Sites List in 7u60
Manganese binding site 3 out of 6 in the Integrin ALAPHIIBBETA3 Complex with Crgdfv


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 Crgdfv within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn2003

b:26.3
occ:1.00
OD1 B:ASN215 2.2 22.2 1.0
OD1 B:ASP217 2.2 21.3 1.0
OE1 B:GLU220 2.2 22.5 1.0
O B:ASP217 2.2 27.5 1.0
OD2 B:ASP158 2.2 25.8 1.0
O B:PRO219 2.3 22.8 1.0
CG B:ASP217 3.2 24.8 1.0
CG B:ASN215 3.3 21.2 1.0
CD B:GLU220 3.3 28.9 1.0
C B:ASP217 3.3 24.4 1.0
CG B:ASP158 3.4 18.7 1.0
C B:PRO219 3.4 17.9 1.0
ND2 B:ASN215 3.8 20.4 1.0
OD2 B:ASP217 3.9 23.1 1.0
CB B:ASP158 3.9 21.5 1.0
CA B:GLU220 3.9 22.2 1.0
CA B:ASP217 4.0 20.8 1.0
N B:ASP217 4.0 24.9 1.0
OE2 B:GLU220 4.0 24.8 1.0
N B:GLU220 4.1 17.7 1.0
CB B:ASP217 4.2 22.3 1.0
C B:ALA218 4.3 41.3 1.0
CG B:GLU220 4.3 28.9 1.0
O B:ALA218 4.4 35.1 1.0
N B:PRO219 4.4 39.9 1.0
N B:ALA218 4.4 21.4 1.0
NE2 B:HIS255 4.4 17.2 1.0
OD1 B:ASP158 4.4 19.1 1.0
CA B:PRO219 4.5 18.4 1.0
CB B:ASN215 4.5 20.4 1.0
CB B:GLU220 4.6 24.3 1.0
CD2 B:HIS255 4.6 26.9 1.0
CA B:ALA218 4.7 20.9 1.0

Manganese binding site 4 out of 6 in 7u60

Go back to Manganese Binding Sites List in 7u60
Manganese binding site 4 out of 6 in the Integrin ALAPHIIBBETA3 Complex with Crgdfv


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 Crgdfv within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn2001

b:46.5
occ:1.00
O D:HOH2101 2.2 89.9 1.0
OG D:SER121 2.2 36.0 1.0
O D:HOH2104 2.2 29.7 1.0
O D:HOH2110 2.2 26.3 1.0
OE2 D:GLU220 2.3 34.6 1.0
OG D:SER123 2.4 31.3 0.4
OD1 N:ASP3 2.5 87.1 1.0
CB D:SER121 2.9 29.0 1.0
CG N:ASP3 3.1 86.6 1.0
CB N:ASP3 3.4 86.2 1.0
CD D:GLU220 3.5 37.7 1.0
CA N:ASP3 3.7 91.1 1.0
CB D:SER123 3.8 41.4 0.4
OG D:SER123 3.9 38.1 0.6
OD2 N:ASP3 4.0 86.3 1.0
CG D:GLU220 4.1 25.8 1.0
CA D:SER121 4.2 31.2 1.0
CB D:SER123 4.3 41.6 0.6
OD2 D:ASP119 4.3 28.5 1.0
OD1 D:ASP251 4.4 28.6 1.0
OD1 D:ASP119 4.4 27.3 1.0
N D:SER123 4.4 41.7 1.0
OE1 D:GLU220 4.5 26.5 1.0
C D:SER121 4.5 36.7 1.0
C N:ASP3 4.6 116.5 1.0
N D:TYR122 4.6 40.3 1.0
ND2 D:ASN215 4.7 28.9 1.0
CA D:SER123 4.8 39.1 0.4
CG D:ASP119 4.8 34.0 1.0
CB D:ALA252 4.8 27.0 1.0
O D:ALA218 4.9 29.3 1.0
N N:ASP3 4.9 86.6 1.0
N D:SER121 4.9 29.7 1.0
CA D:SER123 5.0 36.3 0.6

Manganese binding site 5 out of 6 in 7u60

Go back to Manganese Binding Sites List in 7u60
Manganese binding site 5 out of 6 in the Integrin ALAPHIIBBETA3 Complex with Crgdfv


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 Crgdfv within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn2002

b:94.6
occ:1.00
OD1 D:ASP126 2.2 78.7 1.0
O D:HOH2172 2.2 40.4 1.0
O D:HOH2180 2.2 43.6 1.0
OD1 D:ASP127 2.2 42.6 1.0
OD2 D:ASP126 2.3 78.6 1.0
O D:SER123 2.3 44.4 1.0
CG D:ASP126 2.5 66.5 1.0
O D:MET335 3.1 34.0 1.0
CG D:ASP127 3.4 37.8 1.0
C D:SER123 3.5 36.0 1.0
CA D:MET124 3.8 33.5 1.0
CB D:ASP126 4.0 59.6 1.0
N D:ASP127 4.0 39.8 1.0
N D:MET124 4.0 31.8 1.0
OD2 D:ASP127 4.1 43.1 1.0
O D:HOH2215 4.2 51.0 1.0
N D:ASP126 4.3 54.1 1.0
C D:MET124 4.3 45.5 1.0
C D:MET335 4.3 41.6 1.0
N D:LYS125 4.5 42.1 1.0
O D:HOH2102 4.5 25.9 1.0
OD2 D:ASP251 4.5 33.3 1.0
CA D:ASP126 4.6 57.2 1.0
CB D:ASP127 4.6 34.1 1.0
O D:HOH2278 4.6 49.6 1.0
CA D:SER123 4.7 36.3 0.6
CA D:SER123 4.7 39.1 0.4
C D:ASP126 4.8 49.7 1.0
CA D:ASP127 4.8 43.3 1.0
CA D:ASP336 4.9 38.4 1.0
SD D:MET124 4.9 41.8 1.0
CB D:MET124 5.0 30.5 1.0
O D:MET124 5.0 48.4 1.0

Manganese binding site 6 out of 6 in 7u60

Go back to Manganese Binding Sites List in 7u60
Manganese binding site 6 out of 6 in the Integrin ALAPHIIBBETA3 Complex with Crgdfv


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 Crgdfv within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn2003

b:43.1
occ:1.00
OD1 D:ASP217 2.1 38.8 1.0
OE1 D:GLU220 2.2 26.5 1.0
OD1 D:ASN215 2.2 31.5 1.0
OD2 D:ASP158 2.2 42.2 1.0
O D:ASP217 2.3 37.0 1.0
O D:PRO219 2.3 27.3 1.0
CG D:ASP217 3.2 33.8 1.0
CG D:ASN215 3.3 30.7 1.0
CG D:ASP158 3.3 32.1 1.0
C D:ASP217 3.3 31.6 1.0
C D:PRO219 3.4 33.4 1.0
CD D:GLU220 3.4 37.7 1.0
ND2 D:ASN215 3.7 28.9 1.0
CA D:GLU220 3.8 24.6 1.0
CB D:ASP158 3.8 27.9 1.0
OD2 D:ASP217 4.0 31.1 1.0
N D:GLU220 4.0 24.6 1.0
CA D:ASP217 4.1 29.6 1.0
N D:ASP217 4.1 29.4 1.0
C D:ALA218 4.2 34.7 1.0
O D:ALA218 4.2 29.3 1.0
OE2 D:GLU220 4.2 34.6 1.0
CB D:ASP217 4.2 28.5 1.0
CG D:GLU220 4.3 25.8 1.0
NE2 D:HIS255 4.3 24.6 1.0
N D:PRO219 4.3 27.4 1.0
N D:ALA218 4.4 36.2 1.0
CB D:GLU220 4.4 31.1 1.0
OD1 D:ASP158 4.4 24.7 1.0
CA D:PRO219 4.5 34.4 1.0
CD2 D:HIS255 4.5 24.0 1.0
CB D:ASN215 4.6 29.6 1.0
CA D:ALA218 4.7 34.4 1.0
C D:GLU220 4.9 42.1 1.0

Reference:

J.Zhu, F.Y.Lin, J.Zhu, T.A.Springer. Integrin Alpha Iib Beta 3 Headpiece with Fab Complex with Eptifibatide To Be Published.
Page generated: Sun Oct 6 10:40:59 2024

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