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Calcium in PDB 8hq2: Crystal Structure of Human ADAM22 in Complex with Human LGI1 Mutant

Protein crystallography data

The structure of Crystal Structure of Human ADAM22 in Complex with Human LGI1 Mutant, PDB code: 8hq2 was solved by H.Liu, Z.Lin, F.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.83 / 2.93
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 53.25, 98.854, 131.258, 96.21, 100.44, 91.31
R / Rfree (%) 24.5 / 29.1

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Human ADAM22 in Complex with Human LGI1 Mutant (pdb code 8hq2). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the Crystal Structure of Human ADAM22 in Complex with Human LGI1 Mutant, PDB code: 8hq2:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in 8hq2

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Calcium binding site 1 out of 8 in the Crystal Structure of Human ADAM22 in Complex with Human LGI1 Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Human ADAM22 in Complex with Human LGI1 Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca801

b:92.6
occ:1.00
 OD1 A:ASN436 2.3 81.4 1.0
OD2 A:ASP325 2.5 60.4 1.0
OD1 A:ASP325 2.7 83.3 1.0
O A:CYS433 2.8 92.7 1.0
CG A:ASP325 2.9 62.8 1.0
CG A:ASN436 3.4 85.7 1.0
C A:CYS433 3.5 79.3 1.0
OE2 A:GLU242 3.7 93.6 1.0
O A:ASN436 3.8 84.0 1.0
CB A:ASN436 3.9 85.9 1.0
O A:TYR240 4.0 59.7 1.0
CG A:GLU242 4.1 70.5 1.0
CB A:CYS433 4.1 86.6 1.0
CA A:LEU434 4.2 67.5 1.0
N A:LEU434 4.2 81.9 1.0
CD A:GLU242 4.2 81.8 1.0
CA A:CYS433 4.3 83.1 1.0
CB A:ASP325 4.4 54.4 1.0
C A:ASN436 4.5 82.6 1.0
C A:LEU434 4.5 66.5 1.0
N A:ASN436 4.5 78.1 1.0
ND2 A:ASN436 4.5 86.5 1.0
CA A:ASN436 4.5 81.9 1.0
CB A:GLU242 4.6 67.1 1.0
O A:HOH911 4.7 85.5 1.0
N A:GLU242 4.7 62.3 1.0
O A:LEU434 4.8 72.2 1.0
SG A:CYS433 5.0 85.0 1.0

Calcium binding site 2 out of 8 in 8hq2

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Calcium binding site 2 out of 8 in the Crystal Structure of Human ADAM22 in Complex with Human LGI1 Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Human ADAM22 in Complex with Human LGI1 Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca802

b:115.8
occ:1.00
 OD2 A:ASP459 2.1 108.7 1.0
OE1 A:GLU456 2.3 128.0 1.0
OD1 A:ASN449 2.3 105.7 1.0
OE2 A:GLU456 2.4 136.6 1.0
O A:PHE451 2.5 112.8 1.0
CD A:GLU456 2.7 129.3 1.0
O A:GLU446 2.9 125.1 1.0
OE2 A:GLU453 3.0 114.5 1.0
CG A:ASP459 3.2 110.1 1.0
CG A:ASN449 3.4 107.0 1.0
C A:PHE451 3.6 111.0 1.0
CB A:ASP459 3.8 112.4 1.0
ND2 A:ASN449 3.9 107.3 1.0
CD A:GLU453 3.9 115.7 1.0
C A:GLU446 4.0 123.8 1.0
CG A:GLU456 4.1 122.5 1.0
CA A:CYS447 4.2 123.9 1.0
OD1 A:ASP459 4.3 113.0 1.0
N A:GLY448 4.3 117.9 1.0
N A:ASN449 4.4 108.4 1.0
N A:PHE451 4.4 105.8 1.0
CA A:ILE452 4.4 116.3 1.0
N A:GLU453 4.4 123.4 1.0
N A:ILE452 4.5 111.7 1.0
SG A:CYS477 4.5 108.5 1.0
N A:CYS447 4.5 126.4 1.0
OE1 A:GLU453 4.6 115.5 1.0
CA A:PHE451 4.6 106.2 1.0
C A:ILE452 4.6 122.0 1.0
CB A:GLU453 4.6 122.2 1.0
CB A:ASN449 4.6 108.6 1.0
C A:CYS447 4.6 116.4 1.0
CG A:GLU453 4.8 118.9 1.0
CB A:GLU456 4.8 118.0 1.0
N A:GLY450 4.8 107.7 1.0
N A:GLU446 4.9 129.2 1.0
CA A:ASN449 5.0 108.5 1.0

Calcium binding site 3 out of 8 in 8hq2

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Calcium binding site 3 out of 8 in the Crystal Structure of Human ADAM22 in Complex with Human LGI1 Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Human ADAM22 in Complex with Human LGI1 Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca803

b:62.6
occ:1.00
 OE1 A:GLU514 2.2 70.7 1.0
OE2 A:GLU514 2.3 54.3 1.0
OD1 A:ASP511 2.4 57.2 1.0
O A:ILE512 2.4 53.0 1.0
OD1 A:ASN526 2.4 73.6 1.0
CD A:GLU514 2.6 59.6 1.0
O A:ILE527 2.8 62.7 1.0
CG A:ASP511 3.0 62.9 1.0
OD2 A:ASP511 3.1 75.5 1.0
C A:ILE512 3.6 53.4 1.0
CG A:ASN526 3.6 68.6 1.0
N A:ILE527 3.8 69.1 1.0
C A:ILE527 3.9 65.8 1.0
N A:ILE512 3.9 53.0 1.0
CG A:GLU514 4.1 57.6 1.0
ND2 A:ASN526 4.3 71.9 1.0
CA A:ILE512 4.4 53.5 1.0
N A:GLU514 4.4 62.3 1.0
CB A:ASP511 4.4 59.5 1.0
CA A:ASN526 4.5 67.2 1.0
CA A:ILE527 4.5 68.4 1.0
C A:ASN526 4.6 67.6 1.0
N A:ARG513 4.6 61.2 1.0
CB A:ASN526 4.6 64.7 1.0
CD A:ARG504 4.6 83.6 1.0
CA A:ARG513 4.7 63.7 1.0
C A:ARG513 4.8 63.5 1.0
CG A:ARG504 4.8 81.0 1.0
C A:ASP511 4.8 59.3 1.0
CB A:GLU514 4.9 64.0 1.0
CA A:ASP511 4.9 61.0 1.0

Calcium binding site 4 out of 8 in 8hq2

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Calcium binding site 4 out of 8 in the Crystal Structure of Human ADAM22 in Complex with Human LGI1 Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Human ADAM22 in Complex with Human LGI1 Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca601

b:97.3
occ:1.00
 OE2 D:GLU336 3.0 69.4 1.0
NZ D:LYS436 3.1 86.2 1.0
OD2 D:ASP334 3.2 69.0 1.0
O D:VAL382 3.3 61.4 1.0
OD1 D:ASP334 3.6 68.0 1.0
OE1 D:GLU383 3.7 88.4 1.0
CG D:ASP334 3.8 66.2 1.0
OD1 D:ASP381 3.9 84.2 1.0
O D:ILE335 3.9 63.4 1.0
CD D:GLU336 3.9 69.1 1.0
CB D:GLU336 4.5 50.6 1.0
CE D:LYS436 4.5 79.4 1.0
C D:VAL382 4.5 60.6 1.0
OE1 D:GLU336 4.6 74.1 1.0
CA D:GLU336 4.7 51.8 1.0
C D:ILE335 4.7 56.5 1.0
CG D:GLU336 4.8 62.9 1.0
CG D:ASP381 4.8 79.6 1.0
CD D:GLU383 4.8 84.8 1.0
OD2 D:ASP381 4.9 76.3 1.0
CD D:LYS436 5.0 71.6 1.0

Calcium binding site 5 out of 8 in 8hq2

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Calcium binding site 5 out of 8 in the Crystal Structure of Human ADAM22 in Complex with Human LGI1 Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of Human ADAM22 in Complex with Human LGI1 Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca801

b:105.6
occ:1.00
 OD1 B:ASN436 2.2 101.5 1.0
OD1 B:ASP325 2.5 77.6 1.0
OD2 B:ASP325 2.7 83.4 1.0
OE1 B:GLU242 2.8 105.5 1.0
O B:CYS433 2.9 69.0 1.0
CG B:ASP325 3.0 73.7 1.0
CG B:ASN436 3.3 94.5 1.0
C B:CYS433 3.6 64.5 1.0
CD B:GLU242 3.7 97.3 1.0
CB B:ASN436 4.0 87.0 1.0
CB B:CYS433 4.0 78.3 1.0
O B:ASN436 4.2 99.5 1.0
O B:TYR240 4.2 62.7 1.0
ND2 B:ASN436 4.3 95.0 1.0
CA B:CYS433 4.3 67.6 1.0
N B:LEU434 4.3 66.0 1.0
OE2 B:GLU242 4.4 103.9 1.0
CA B:LEU434 4.4 58.1 1.0
CB B:ASP325 4.5 63.0 1.0
CG B:GLU242 4.6 82.5 1.0
CB B:GLU242 4.6 71.8 1.0
N B:ASN436 4.7 64.9 1.0
CA B:ASN436 4.7 78.9 1.0
C B:ASN436 4.7 87.8 1.0
C B:LEU434 4.8 61.2 1.0
N B:GLU242 4.9 64.7 1.0
SG B:CYS433 5.0 83.7 1.0

Calcium binding site 6 out of 8 in 8hq2

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Calcium binding site 6 out of 8 in the Crystal Structure of Human ADAM22 in Complex with Human LGI1 Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of Human ADAM22 in Complex with Human LGI1 Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca802

b:64.7
occ:1.00
 OD1 B:ASP511 2.2 47.1 1.0
OE1 B:GLU514 2.3 66.4 1.0
OD1 B:ASN526 2.4 69.1 1.0
OE2 B:GLU514 2.5 52.4 1.0
O B:ILE512 2.5 62.9 1.0
CD B:GLU514 2.7 67.9 1.0
O B:ILE527 2.9 60.7 1.0
CG B:ASP511 2.9 49.5 1.0
OD2 B:ASP511 3.0 74.3 1.0
CG B:ASN526 3.5 68.8 1.0
C B:ILE512 3.7 55.4 1.0
N B:ILE527 4.0 65.7 1.0
C B:ILE527 4.0 62.0 1.0
N B:ILE512 4.0 57.4 1.0
ND2 B:ASN526 4.2 74.9 1.0
CG B:GLU514 4.2 69.3 1.0
CB B:ASP511 4.4 46.8 1.0
N B:GLU514 4.5 70.2 1.0
CA B:ILE512 4.5 55.9 1.0
CD B:ARG504 4.5 68.6 1.0
CA B:ASN526 4.6 59.2 1.0
N B:ARG513 4.6 56.4 1.0
CB B:ASN526 4.6 62.6 1.0
CA B:ARG513 4.6 63.5 1.0
C B:ASN526 4.7 64.2 1.0
CA B:ILE527 4.7 61.5 1.0
CG B:ARG504 4.7 72.4 1.0
C B:ASP511 4.8 54.8 1.0
CA B:ASP511 4.9 57.9 1.0
C B:ARG513 4.9 66.7 1.0
CB B:GLU514 4.9 70.2 1.0

Calcium binding site 7 out of 8 in 8hq2

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Calcium binding site 7 out of 8 in the Crystal Structure of Human ADAM22 in Complex with Human LGI1 Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure of Human ADAM22 in Complex with Human LGI1 Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca803

b:124.2
occ:1.00
 OD1 B:ASN449 2.2 110.9 1.0
OE1 B:GLU453 2.3 125.1 1.0
OD2 B:ASP459 2.3 104.8 1.0
OE2 B:GLU456 2.4 128.3 1.0
OE1 B:GLU456 2.5 119.4 1.0
O B:GLU446 2.5 126.1 1.0
O B:PHE451 2.6 114.4 1.0
CD B:GLU456 2.7 124.7 1.0
CG B:ASN449 3.1 108.8 1.0
ND2 B:ASN449 3.5 107.7 1.0
CG B:ASP459 3.5 105.0 1.0
CD B:GLU453 3.5 126.3 1.0
C B:GLU446 3.6 124.7 1.0
C B:PHE451 3.8 111.9 1.0
CA B:CYS447 4.1 120.0 1.0
CB B:ASP459 4.2 109.8 1.0
CG B:GLU456 4.3 128.4 1.0
N B:ASN449 4.3 111.4 1.0
N B:CYS447 4.3 124.3 1.0
CG B:GLU453 4.3 124.6 1.0
N B:GLY448 4.3 115.2 1.0
CB B:ASN449 4.4 110.4 1.0
OE2 B:GLU453 4.4 129.0 1.0
CB B:GLU453 4.5 128.0 1.0
OD1 B:ASP459 4.5 103.9 1.0
N B:GLU446 4.5 131.7 1.0
N B:PHE451 4.5 117.6 1.0
N B:GLU453 4.5 129.0 1.0
C B:CYS447 4.6 121.7 1.0
CA B:ILE452 4.7 118.1 1.0
CA B:PHE451 4.7 108.6 1.0
CA B:GLU446 4.7 128.1 1.0
N B:ILE452 4.7 109.3 1.0
SG B:CYS477 4.7 133.8 1.0
C B:ILE452 4.7 131.7 1.0
CA B:ASN449 4.8 111.5 1.0
N B:GLY450 5.0 103.2 1.0

Calcium binding site 8 out of 8 in 8hq2

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Calcium binding site 8 out of 8 in the Crystal Structure of Human ADAM22 in Complex with Human LGI1 Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Crystal Structure of Human ADAM22 in Complex with Human LGI1 Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca601

b:114.3
occ:1.00
 OE1 E:GLU383 2.4 89.3 1.0
O E:VAL382 2.4 77.9 1.0
OE2 E:GLU336 3.0 101.5 1.0
NZ E:LYS436 3.3 73.7 1.0
OD1 E:ASP381 3.5 92.7 1.0
OD2 E:ASP334 3.5 100.3 1.0
C E:VAL382 3.5 78.0 1.0
OD2 E:ASP381 3.5 87.2 1.0
CD E:GLU383 3.6 91.7 1.0
CA E:GLU383 3.8 70.3 1.0
CG E:ASP381 3.9 86.8 1.0
CD E:GLU336 3.9 91.0 1.0
CB E:GLU383 4.1 76.4 1.0
N E:GLU383 4.1 73.0 1.0
CE E:LYS436 4.2 69.7 1.0
CD E:LYS436 4.3 66.7 1.0
O E:VAL435 4.4 76.1 1.0
OE2 E:GLU383 4.4 92.8 1.0
CG E:GLU383 4.4 87.8 1.0
CG E:ASP334 4.5 93.9 1.0
N E:VAL382 4.6 57.2 1.0
OE1 E:GLU336 4.6 90.2 1.0
CA E:VAL382 4.7 66.2 1.0
CB E:GLU336 4.7 60.7 1.0
OD1 E:ASP334 4.7 100.9 1.0
CG E:GLU336 4.8 78.9 1.0

Reference:

H.Liu, Z.Lin, F.Xu. Crystal Structure of Human ADAM22 in Complex with Human LGI1 Mutant To Be Published.
Page generated: Fri Jul 19 09:30:02 2024

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