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Calcium in PDB 7uab: Human Pro-Meprin Alpha (Zymogen State)

Enzymatic activity of Human Pro-Meprin Alpha (Zymogen State)

All present enzymatic activity of Human Pro-Meprin Alpha (Zymogen State):
3.4.24.18;

Other elements in 7uab:

The structure of Human Pro-Meprin Alpha (Zymogen State) also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Human Pro-Meprin Alpha (Zymogen State) (pdb code 7uab). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 7 binding sites of Calcium where determined in the Human Pro-Meprin Alpha (Zymogen State), PDB code: 7uab:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7;

Calcium binding site 1 out of 7 in 7uab

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Calcium binding site 1 out of 7 in the Human Pro-Meprin Alpha (Zymogen State)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human Pro-Meprin Alpha (Zymogen State) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca703

b:90.9
occ:1.00
 O A:THR287 2.3 81.9 1.0
OD1 A:ASP288 2.3 78.0 1.0
OD1 A:ASP285 2.4 87.5 1.0
OD2 A:ASP285 2.5 87.5 1.0
CG A:ASP285 2.7 87.5 1.0
C A:THR287 3.3 81.9 1.0
CG A:ASP288 3.6 78.0 1.0
N A:ASP288 3.9 78.0 1.0
CA A:ASP288 4.0 78.0 1.0
CB A:ASP285 4.1 87.5 1.0
N A:THR287 4.2 81.9 1.0
CA A:THR287 4.2 81.9 1.0
CB A:ASP288 4.3 78.0 1.0
OD2 A:ASP288 4.5 78.0 1.0
O A:ASP285 4.6 87.5 1.0
C A:ASP285 4.6 87.5 1.0
N A:LEU329 4.8 70.4 1.0
CA A:ASP285 4.8 87.5 1.0
CA A:ALA328 5.0 77.3 1.0

Calcium binding site 2 out of 7 in 7uab

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Calcium binding site 2 out of 7 in the Human Pro-Meprin Alpha (Zymogen State)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Human Pro-Meprin Alpha (Zymogen State) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca705

b:74.5
occ:1.00
 OD1 A:ASP422 2.3 75.7 1.0
O A:TYR313 2.3 71.3 1.0
OE1 A:GLU272 2.3 80.7 1.0
OG1 A:THR303 2.3 77.7 1.0
O A:THR270 2.3 78.4 1.0
OD2 A:ASP422 2.5 75.7 1.0
CG A:ASP422 2.7 75.7 1.0
CB A:THR303 3.2 77.7 1.0
C A:TYR313 3.5 71.3 1.0
C A:THR270 3.5 78.4 1.0
CD A:GLU272 3.5 80.7 1.0
N A:TYR313 3.8 71.3 1.0
N A:THR303 4.1 77.7 1.0
CA A:TYR313 4.1 71.3 1.0
CB A:ASP301 4.1 76.5 1.0
CG2 A:THR303 4.2 77.7 1.0
CB A:ASP422 4.2 75.7 1.0
OD1 A:ASP423 4.2 76.3 1.0
CA A:THR270 4.3 78.4 1.0
CA A:THR303 4.3 77.7 1.0
CG A:GLU272 4.3 80.7 1.0
CB A:PHE271 4.4 78.4 1.0
N A:PHE271 4.4 78.4 1.0
CB A:THR270 4.5 78.4 1.0
OE2 A:GLU272 4.5 80.7 1.0
N A:PHE314 4.5 74.2 1.0
OD2 A:ASP301 4.6 76.5 1.0
CB A:TYR313 4.6 71.3 1.0
CA A:PHE271 4.7 78.4 1.0
C A:PHE271 4.7 78.4 1.0
N A:GLU272 4.8 80.7 1.0
CG A:ASP301 4.8 76.5 1.0
N A:ASP423 4.8 76.3 1.0
CA A:PHE314 4.9 74.2 1.0
N A:HIS302 4.9 75.2 1.0
CA A:ASP422 5.0 75.7 1.0
CD2 A:PHE271 5.0 78.4 1.0
CG A:ASP423 5.0 76.3 1.0

Calcium binding site 3 out of 7 in 7uab

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Calcium binding site 3 out of 7 in the Human Pro-Meprin Alpha (Zymogen State)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Human Pro-Meprin Alpha (Zymogen State) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca704

b:76.0
occ:1.00
 OD1 D:ASP422 2.3 79.2 1.0
O D:TYR313 2.3 77.1 1.0
OG1 D:THR303 2.3 79.8 1.0
O D:THR270 2.3 80.8 1.0
OE1 D:GLU272 2.3 80.1 1.0
OD2 D:ASP422 2.5 79.2 1.0
CG D:ASP422 2.7 79.2 1.0
CB D:THR303 3.1 79.8 1.0
C D:TYR313 3.4 77.1 1.0
C D:THR270 3.5 80.8 1.0
CD D:GLU272 3.5 80.1 1.0
N D:TYR313 3.9 77.1 1.0
N D:THR303 4.1 79.8 1.0
CG2 D:THR303 4.1 79.8 1.0
CA D:THR270 4.2 80.8 1.0
CA D:TYR313 4.2 77.1 1.0
CA D:THR303 4.2 79.8 1.0
CB D:ASP422 4.2 79.2 1.0
CB D:THR270 4.3 80.8 1.0
CB D:ASP301 4.3 80.4 1.0
OD1 D:ASP423 4.3 79.3 1.0
CG D:GLU272 4.3 80.1 1.0
OE2 D:GLU272 4.4 80.1 1.0
OD2 D:ASP301 4.4 80.4 1.0
N D:PHE271 4.5 80.5 1.0
N D:PHE314 4.5 81.2 1.0
CB D:PHE271 4.6 80.5 1.0
CB D:TYR313 4.7 77.1 1.0
CG D:ASP301 4.8 80.4 1.0
N D:GLU272 4.8 80.1 1.0
N D:ASP423 4.8 79.3 1.0
CA D:PHE271 4.8 80.5 1.0
C D:PHE271 4.8 80.5 1.0
CA D:PHE314 4.8 81.2 1.0
CA D:ASP422 4.9 79.2 1.0
N D:HIS302 5.0 78.7 1.0
CD2 D:PHE271 5.0 80.5 1.0

Calcium binding site 4 out of 7 in 7uab

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Calcium binding site 4 out of 7 in the Human Pro-Meprin Alpha (Zymogen State)


Mono view


Stereo pair view

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

b:86.2
occ:1.00
 OD1 E:ASP288 2.3 76.2 1.0
OD1 E:ASP285 2.3 85.6 1.0
OD2 E:ASP285 2.4 85.6 1.0
O E:THR287 2.4 79.2 1.0
O E:GLY282 2.4 78.9 1.0
CG E:ASP285 2.7 85.6 1.0
C E:GLY282 3.4 78.9 1.0
C E:THR287 3.5 79.2 1.0
CG E:ASP288 3.5 76.2 1.0
N E:GLY282 3.7 78.9 1.0
CA E:GLY282 3.8 78.9 1.0
CA E:ASP288 4.0 76.2 1.0
N E:ASP288 4.1 76.2 1.0
CB E:ASP285 4.2 85.6 1.0
CB E:ASP288 4.3 76.2 1.0
OD2 E:ASP288 4.4 76.2 1.0
CB E:GLN281 4.5 72.1 1.0
N E:THR283 4.5 80.7 1.0
OE1 E:GLN281 4.5 72.1 1.0
C E:GLN281 4.5 72.1 1.0
O E:LEU329 4.6 71.2 1.0
CA E:THR287 4.6 79.2 1.0
N E:THR287 4.6 79.2 1.0
N E:LEU329 4.7 71.2 1.0
CA E:GLN281 4.9 72.1 1.0

Calcium binding site 5 out of 7 in 7uab

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Calcium binding site 5 out of 7 in the Human Pro-Meprin Alpha (Zymogen State)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Human Pro-Meprin Alpha (Zymogen State) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca705

b:67.5
occ:1.00
 OG1 E:THR303 2.3 69.4 1.0
O E:TYR313 2.3 67.4 1.0
OD1 E:ASP422 2.3 67.4 1.0
OE1 E:GLU272 2.3 72.7 1.0
O E:THR270 2.3 69.5 1.0
OD2 E:ASP422 2.5 67.4 1.0
CG E:ASP422 2.8 67.4 1.0
CB E:THR303 3.2 69.4 1.0
CD E:GLU272 3.5 72.7 1.0
C E:TYR313 3.5 67.4 1.0
C E:THR270 3.5 69.5 1.0
N E:TYR313 4.0 67.4 1.0
N E:THR303 4.1 69.4 1.0
CG2 E:THR303 4.2 69.4 1.0
CG E:GLU272 4.2 72.7 1.0
OD1 E:ASP423 4.2 72.7 1.0
CA E:THR270 4.2 69.5 1.0
CA E:TYR313 4.3 67.4 1.0
CB E:ASP422 4.3 67.4 1.0
CA E:THR303 4.3 69.4 1.0
OD2 E:ASP301 4.3 71.8 1.0
CB E:THR270 4.3 69.5 1.0
CB E:ASP301 4.4 71.8 1.0
OE2 E:GLU272 4.5 72.7 1.0
N E:PHE314 4.5 66.6 1.0
N E:PHE271 4.5 68.2 1.0
CB E:PHE271 4.6 68.2 1.0
CA E:PHE314 4.7 66.6 1.0
CB E:TYR313 4.8 67.4 1.0
CA E:PHE271 4.8 68.2 1.0
CD2 E:PHE271 4.8 68.2 1.0
N E:GLU272 4.9 72.7 1.0
CG E:ASP301 4.9 71.8 1.0
C E:PHE271 4.9 68.2 1.0
N E:ASP423 4.9 72.7 1.0
CA E:ASP422 5.0 67.4 1.0
CG E:ASP423 5.0 72.7 1.0

Calcium binding site 6 out of 7 in 7uab

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Calcium binding site 6 out of 7 in the Human Pro-Meprin Alpha (Zymogen State)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Human Pro-Meprin Alpha (Zymogen State) within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Ca702

b:84.2
occ:1.00
 OD1 H:ASP288 2.3 73.4 1.0
OD1 H:ASP285 2.3 80.5 1.0
OD2 H:ASP285 2.4 80.5 1.0
O H:THR287 2.5 78.0 1.0
O H:GLY282 2.6 77.0 1.0
CG H:ASP285 2.7 80.5 1.0
C H:THR287 3.4 78.0 1.0
C H:GLY282 3.5 77.0 1.0
CG H:ASP288 3.5 73.4 1.0
N H:ASP288 4.1 73.4 1.0
CB H:ASP285 4.1 80.5 1.0
CA H:GLY282 4.1 77.0 1.0
CA H:ASP288 4.1 73.4 1.0
N H:GLY282 4.1 77.0 1.0
CA H:THR287 4.3 78.0 1.0
O H:ASP285 4.3 80.5 1.0
N H:THR287 4.3 78.0 1.0
OD2 H:ASP288 4.4 73.4 1.0
CB H:ASP288 4.4 73.4 1.0
N H:THR283 4.5 78.8 1.0
C H:ASP285 4.5 80.5 1.0
N H:LEU329 4.7 70.2 1.0
C H:GLN281 4.8 70.5 1.0
CA H:ASP285 4.8 80.5 1.0
CA H:THR283 4.8 78.8 1.0
OE1 H:GLN281 4.8 70.5 1.0
CB H:GLN281 4.8 70.5 1.0
O H:LEU329 4.9 70.2 1.0
N H:ASP285 5.0 80.5 1.0

Calcium binding site 7 out of 7 in 7uab

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Calcium binding site 7 out of 7 in the Human Pro-Meprin Alpha (Zymogen State)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Human Pro-Meprin Alpha (Zymogen State) within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Ca704

b:70.2
occ:1.00
 OE1 H:GLU272 2.3 69.9 1.0
OG1 H:THR303 2.3 70.7 1.0
OD1 H:ASP422 2.3 66.6 1.0
O H:TYR313 2.3 66.0 1.0
O H:THR270 2.4 71.2 1.0
OD2 H:ASP422 2.5 66.6 1.0
CG H:ASP422 2.7 66.6 1.0
CB H:THR303 3.2 70.7 1.0
CD H:GLU272 3.5 69.9 1.0
C H:TYR313 3.5 66.0 1.0
C H:THR270 3.6 71.2 1.0
OD2 H:ASP301 3.7 72.6 1.0
N H:TYR313 3.8 66.0 1.0
N H:THR303 4.0 70.7 1.0
CB H:ASP301 4.1 72.6 1.0
CG H:GLU272 4.2 69.9 1.0
CA H:TYR313 4.2 66.0 1.0
CA H:THR303 4.2 70.7 1.0
CG2 H:THR303 4.2 70.7 1.0
CB H:ASP422 4.2 66.6 1.0
OD1 H:ASP423 4.3 71.8 1.0
CG H:ASP301 4.4 72.6 1.0
CA H:THR270 4.4 71.2 1.0
OE2 H:GLU272 4.5 69.9 1.0
N H:PHE314 4.5 64.3 1.0
CB H:PHE271 4.5 67.4 1.0
N H:PHE271 4.6 67.4 1.0
CB H:THR270 4.6 71.2 1.0
C H:PHE271 4.7 67.4 1.0
CA H:PHE271 4.8 67.4 1.0
N H:GLU272 4.8 69.9 1.0
CB H:TYR313 4.8 66.0 1.0
CA H:PHE314 4.8 64.3 1.0
C H:GLY312 4.9 73.5 1.0
CG H:ASP423 5.0 71.8 1.0
N H:HIS302 5.0 70.4 1.0
N H:ASP423 5.0 71.8 1.0
CA H:ASP422 5.0 66.6 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 04:42:40 2024

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