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Calcium in PDB 7uai: Meprin Alpha Helix in Complex with Fetuin-B

Enzymatic activity of Meprin Alpha Helix in Complex with Fetuin-B

All present enzymatic activity of Meprin Alpha Helix in Complex with Fetuin-B:
3.4.24.18;

Other elements in 7uai:

The structure of Meprin Alpha Helix in Complex with Fetuin-B also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Meprin Alpha Helix in Complex with Fetuin-B (pdb code 7uai). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the Meprin Alpha Helix in Complex with Fetuin-B, PDB code: 7uai:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in 7uai

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Calcium binding site 1 out of 8 in the Meprin Alpha Helix in Complex with Fetuin-B


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Meprin Alpha Helix in Complex with Fetuin-B within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca701

b:118.5
occ:1.00
OD1 E:ASP288 2.3 108.5 1.0
OD1 E:ASP285 2.3 114.1 1.0
OD2 E:ASP285 2.3 114.1 1.0
O E:THR287 2.3 112.0 1.0
O E:GLY282 2.4 112.2 1.0
CG E:ASP285 2.7 114.1 1.0
C E:THR287 3.3 112.0 1.0
C E:GLY282 3.4 112.2 1.0
CG E:ASP288 3.5 108.5 1.0
CA E:ASP288 4.0 108.5 1.0
N E:ASP288 4.0 108.5 1.0
N E:GLY282 4.1 112.2 1.0
CA E:GLY282 4.1 112.2 1.0
CB E:ASP285 4.2 114.1 1.0
CB E:GLN281 4.2 104.2 1.0
CB E:ASP288 4.3 108.5 1.0
CA E:THR287 4.3 112.0 1.0
N E:THR283 4.3 120.2 1.0
OD2 E:ASP288 4.4 108.5 1.0
N E:THR287 4.5 112.0 1.0
CA E:THR283 4.5 120.2 1.0
C E:GLN281 4.5 104.2 1.0
OE1 E:GLN281 4.5 104.2 1.0
O E:LEU329 4.6 96.5 1.0
N E:LEU329 4.8 96.5 1.0
CB E:ALA328 4.9 99.0 1.0
CA E:ALA328 4.9 99.0 1.0
CA E:GLN281 4.9 104.2 1.0
C E:ASP285 5.0 114.1 1.0

Calcium binding site 2 out of 8 in 7uai

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Calcium binding site 2 out of 8 in the Meprin Alpha Helix in Complex with Fetuin-B


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Meprin Alpha Helix in Complex with Fetuin-B within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca703

b:125.0
occ:1.00
O E:TYR313 2.3 118.1 1.0
OG1 E:THR303 2.4 119.4 1.0
O E:THR270 2.4 112.2 1.0
OD1 E:ASP422 2.4 110.0 1.0
OD2 E:ASP422 2.6 110.0 1.0
OD2 E:ASP301 2.8 120.0 1.0
CG E:ASP422 2.8 110.0 1.0
CB E:THR303 3.0 119.4 1.0
OG1 E:THR270 3.4 112.2 1.0
C E:TYR313 3.5 118.1 1.0
C E:THR270 3.5 112.2 1.0
N E:TYR313 3.7 118.1 1.0
CG E:ASP301 3.7 120.0 1.0
CB E:ASP301 3.9 120.0 1.0
CB E:THR270 4.0 112.2 1.0
N E:THR303 4.0 119.4 1.0
CG2 E:THR303 4.0 119.4 1.0
CA E:THR270 4.1 112.2 1.0
CA E:THR303 4.1 119.4 1.0
CA E:TYR313 4.2 118.1 1.0
CB E:ASP422 4.3 110.0 1.0
N E:PHE314 4.6 111.8 1.0
N E:PHE271 4.7 113.8 1.0
CA E:PHE314 4.8 111.8 1.0
C E:GLY312 4.8 123.7 1.0
CB E:PHE314 4.8 111.8 1.0
CB E:PHE271 4.9 113.8 1.0
OD1 E:ASP301 4.9 120.0 1.0
CB E:TYR313 4.9 118.1 1.0
N E:GLU272 4.9 115.5 1.0
N E:HIS302 5.0 116.2 1.0

Calcium binding site 3 out of 8 in 7uai

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Calcium binding site 3 out of 8 in the Meprin Alpha Helix in Complex with Fetuin-B


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Meprin Alpha Helix in Complex with Fetuin-B within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca701

b:101.0
occ:1.00
OD1 B:ASP285 2.2 98.6 1.0
OD1 B:ASP288 2.3 90.1 1.0
O B:THR287 2.3 97.0 1.0
O B:GLY282 2.3 94.8 1.0
CG B:ASP285 2.7 98.6 1.0
OD2 B:ASP285 2.8 98.6 1.0
C B:THR287 3.3 97.0 1.0
C B:GLY282 3.4 94.8 1.0
CG B:ASP288 3.4 90.1 1.0
N B:GLY282 3.9 94.8 1.0
N B:ASP288 4.0 90.1 1.0
CA B:ASP288 4.0 90.1 1.0
CB B:GLN281 4.1 84.1 1.0
CA B:GLY282 4.1 94.8 1.0
CB B:ASP285 4.2 98.6 1.0
C B:GLN281 4.2 84.1 1.0
OD2 B:ASP288 4.3 90.1 1.0
CB B:ASP288 4.3 90.1 1.0
CA B:THR287 4.4 97.0 1.0
N B:THR283 4.4 107.0 1.0
N B:THR287 4.4 97.0 1.0
O B:LEU329 4.5 75.0 1.0
CA B:THR283 4.5 107.0 1.0
N B:LEU329 4.7 75.0 1.0
CA B:GLN281 4.7 84.1 1.0
O B:GLN281 4.7 84.1 1.0
OE1 B:GLN281 4.8 84.1 1.0
CA B:ALA328 4.8 79.7 1.0
O B:ASP285 4.9 98.6 1.0
CB B:ALA328 4.9 79.7 1.0
C B:ASP285 5.0 98.6 1.0
C B:ASP286 5.0 103.4 1.0

Calcium binding site 4 out of 8 in 7uai

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Calcium binding site 4 out of 8 in the Meprin Alpha Helix in Complex with Fetuin-B


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Meprin Alpha Helix in Complex with Fetuin-B within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca703

b:74.6
occ:1.00
OG1 B:THR303 2.3 70.8 1.0
O B:TYR313 2.4 77.7 1.0
OD2 B:ASP422 2.4 68.5 1.0
OD1 B:ASP422 2.4 68.5 1.0
O B:THR270 2.4 72.5 1.0
CG B:ASP422 2.7 68.5 1.0
OD2 B:ASP301 2.9 78.6 1.0
OE2 B:GLU272 3.2 77.1 1.0
CB B:THR303 3.2 70.8 1.0
OE1 B:GLU272 3.2 77.1 1.0
C B:TYR313 3.5 77.7 1.0
CD B:GLU272 3.6 77.1 1.0
C B:THR270 3.6 72.5 1.0
N B:TYR313 3.7 77.7 1.0
CG B:ASP301 3.8 78.6 1.0
N B:THR303 3.8 70.8 1.0
CB B:ASP301 3.9 78.6 1.0
CB B:THR270 4.1 72.5 1.0
CA B:THR303 4.1 70.8 1.0
CA B:TYR313 4.1 77.7 1.0
CA B:THR270 4.1 72.5 1.0
OG1 B:THR270 4.2 72.5 1.0
CB B:ASP422 4.3 68.5 1.0
CG2 B:THR303 4.3 70.8 1.0
N B:PHE314 4.6 73.0 1.0
CB B:TYR313 4.7 77.7 1.0
N B:PHE271 4.7 70.9 1.0
N B:HIS302 4.7 70.0 1.0
OD1 B:ASP423 4.8 71.4 1.0
C B:GLY312 4.8 81.4 1.0
N B:GLU272 4.8 77.1 1.0
CB B:PHE271 4.9 70.9 1.0
OD1 B:ASP301 5.0 78.6 1.0
CA B:PHE314 5.0 73.0 1.0
C B:PHE271 5.0 70.9 1.0

Calcium binding site 5 out of 8 in 7uai

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Calcium binding site 5 out of 8 in the Meprin Alpha Helix in Complex with Fetuin-B


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Meprin Alpha Helix in Complex with Fetuin-B within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca701

b:101.7
occ:1.00
OD1 C:ASP288 2.3 91.0 1.0
OD1 C:ASP285 2.3 95.2 1.0
OD2 C:ASP285 2.3 95.2 1.0
O C:THR287 2.3 97.5 1.0
O C:GLY282 2.4 92.4 1.0
CG C:ASP285 2.7 95.2 1.0
C C:THR287 3.3 97.5 1.0
C C:GLY282 3.4 92.4 1.0
CG C:ASP288 3.5 91.0 1.0
N C:GLY282 3.8 92.4 1.0
CA C:GLY282 3.9 92.4 1.0
N C:ASP288 3.9 91.0 1.0
CA C:ASP288 3.9 91.0 1.0
CB C:ASP285 4.1 95.2 1.0
CB C:ASP288 4.3 91.0 1.0
N C:THR287 4.3 97.5 1.0
CA C:THR287 4.4 97.5 1.0
OD2 C:ASP288 4.4 91.0 1.0
N C:THR283 4.4 98.6 1.0
C C:GLN281 4.4 81.6 1.0
CB C:GLN281 4.4 81.6 1.0
O C:LEU329 4.5 74.9 1.0
N C:LEU329 4.6 74.9 1.0
CA C:ALA328 4.7 79.9 1.0
OE1 C:GLN281 4.7 81.6 1.0
CB C:ALA328 4.7 79.9 1.0
CA C:THR283 4.8 98.6 1.0
C C:ASP285 4.9 95.2 1.0
CA C:GLN281 4.9 81.6 1.0
O C:ASP285 5.0 95.2 1.0
CA C:ASP285 5.0 95.2 1.0
O C:GLN281 5.0 81.6 1.0

Calcium binding site 6 out of 8 in 7uai

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Calcium binding site 6 out of 8 in the Meprin Alpha Helix in Complex with Fetuin-B


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Meprin Alpha Helix in Complex with Fetuin-B within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca703

b:83.2
occ:1.00
OG1 C:THR303 2.3 80.8 1.0
O C:TYR313 2.4 86.2 1.0
OD1 C:ASP422 2.4 75.9 1.0
OD2 C:ASP422 2.5 75.9 1.0
O C:THR270 2.5 78.8 1.0
CG C:ASP422 2.8 75.9 1.0
OE2 C:GLU272 3.0 86.2 1.0
CB C:THR303 3.2 80.8 1.0
OD2 C:ASP301 3.2 85.3 1.0
OG1 C:THR270 3.5 78.8 1.0
C C:TYR313 3.6 86.2 1.0
C C:THR270 3.6 78.8 1.0
N C:THR303 3.8 80.8 1.0
N C:TYR313 3.9 86.2 1.0
CB C:ASP301 4.0 85.3 1.0
CB C:THR270 4.0 78.8 1.0
CD C:GLU272 4.1 86.2 1.0
CG C:ASP301 4.1 85.3 1.0
CA C:THR270 4.1 78.8 1.0
CA C:THR303 4.1 80.8 1.0
CA C:TYR313 4.2 86.2 1.0
CB C:ASP422 4.3 75.9 1.0
CG2 C:THR303 4.3 80.8 1.0
OD1 C:ASP423 4.4 76.5 1.0
OE1 C:GLU272 4.5 86.2 1.0
N C:PHE314 4.7 80.6 1.0
N C:HIS302 4.7 78.3 1.0
CB C:TYR313 4.7 86.2 1.0
N C:PHE271 4.8 77.7 1.0
N C:GLU272 4.9 86.2 1.0
N C:ASP423 4.9 76.5 1.0
CA C:PHE314 4.9 80.6 1.0
CG C:ASP423 5.0 76.5 1.0
CB C:PHE271 5.0 77.7 1.0

Calcium binding site 7 out of 8 in 7uai

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Calcium binding site 7 out of 8 in the Meprin Alpha Helix in Complex with Fetuin-B


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Meprin Alpha Helix in Complex with Fetuin-B within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca701

b:90.0
occ:1.00
OD1 D:ASP288 2.3 86.2 1.0
OD1 D:ASP285 2.3 92.5 1.0
OD2 D:ASP285 2.3 92.5 1.0
O D:THR287 2.4 91.2 1.0
O D:GLY282 2.4 92.8 1.0
CG D:ASP285 2.7 92.5 1.0
C D:GLY282 3.4 92.8 1.0
C D:THR287 3.4 91.2 1.0
CG D:ASP288 3.5 86.2 1.0
N D:GLY282 4.0 92.8 1.0
CA D:ASP288 4.0 86.2 1.0
N D:ASP288 4.0 86.2 1.0
CA D:GLY282 4.1 92.8 1.0
CB D:ASP285 4.2 92.5 1.0
CB D:GLN281 4.2 79.7 1.0
C D:GLN281 4.3 79.7 1.0
N D:THR283 4.3 102.5 1.0
CB D:ASP288 4.4 86.2 1.0
OD2 D:ASP288 4.4 86.2 1.0
CA D:THR287 4.4 91.2 1.0
N D:THR287 4.5 91.2 1.0
CA D:THR283 4.6 102.5 1.0
OE1 D:GLN281 4.6 79.7 1.0
CA D:GLN281 4.7 79.7 1.0
O D:GLN281 4.8 79.7 1.0
N D:LEU329 4.8 72.9 1.0
CB D:ALA328 4.8 75.0 1.0
C D:ASP285 4.9 92.5 1.0
CA D:ALA328 4.9 75.0 1.0
C D:ASP286 5.0 95.4 1.0
CA D:ASP285 5.0 92.5 1.0

Calcium binding site 8 out of 8 in 7uai

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Calcium binding site 8 out of 8 in the Meprin Alpha Helix in Complex with Fetuin-B


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Meprin Alpha Helix in Complex with Fetuin-B within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca702

b:75.9
occ:1.00
OG1 D:THR303 2.3 71.8 1.0
O D:TYR313 2.4 77.9 1.0
O D:THR270 2.4 72.7 1.0
OD2 D:ASP422 2.4 70.8 1.0
OD1 D:ASP422 2.5 70.8 1.0
OD2 D:ASP301 2.6 77.0 1.0
CG D:ASP422 2.8 70.8 1.0
OE1 D:GLU272 3.0 77.7 1.0
CB D:THR303 3.1 71.8 1.0
OE2 D:GLU272 3.2 77.7 1.0
CD D:GLU272 3.5 77.7 1.0
C D:TYR313 3.5 77.9 1.0
CG D:ASP301 3.5 77.0 1.0
C D:THR270 3.6 72.7 1.0
N D:TYR313 3.7 77.9 1.0
CB D:ASP301 3.8 77.0 1.0
N D:THR303 3.8 71.8 1.0
CA D:THR303 4.0 71.8 1.0
CA D:TYR313 4.1 77.9 1.0
CA D:THR270 4.1 72.7 1.0
OG1 D:THR270 4.2 72.7 1.0
CB D:THR270 4.2 72.7 1.0
CG2 D:THR303 4.3 71.8 1.0
CB D:ASP422 4.3 70.8 1.0
N D:PHE314 4.6 75.8 1.0
CB D:TYR313 4.6 77.9 1.0
N D:PHE271 4.7 71.6 1.0
OD1 D:ASP301 4.7 77.0 1.0
N D:HIS302 4.7 70.9 1.0
N D:GLU272 4.8 77.7 1.0
C D:GLY312 4.8 82.0 1.0
CB D:PHE271 4.8 71.6 1.0
CG D:GLU272 4.9 77.7 1.0
CA D:ASP301 5.0 77.0 1.0
CA D:GLY312 5.0 82.0 1.0

Reference:

C.Bayly-Jones, C.J.Lupton, C.Fritz, H.Venugopal, D.Ramsbeck, M.Wermann, C.Jager, A.De Marco, S.Schilling, D.Schlenzig, J.C.Whisstock. Helical Ultrastructure of the Metalloprotease Meprin Alpha in Complex with A Small Molecule Inhibitor. Nat Commun V. 13 6178 2022.
ISSN: ESSN 2041-1723
PubMed: 36261433
DOI: 10.1038/S41467-022-33893-7
Page generated: Fri Jul 19 04:45:39 2024

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