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Calcium in PDB 7wca: Catpo Mutant - E484A

Enzymatic activity of Catpo Mutant - E484A

All present enzymatic activity of Catpo Mutant - E484A:
1.11.1.6;

Protein crystallography data

The structure of Catpo Mutant - E484A, PDB code: 7wca was solved by Y.Yuzugullu Karakus, S.Balci Unver, M.Zengin Karatas, G.Goc, A.R.Pearson, B.Yorke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.43 / 1.78
Space group I 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 124.79, 120.2, 184.076, 90, 101.72, 90
R / Rfree (%) 16.2 / 20.2

Other elements in 7wca:

The structure of Catpo Mutant - E484A also contains other interesting chemical elements:

Iron (Fe) 4 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Catpo Mutant - E484A (pdb code 7wca). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 10 binding sites of Calcium where determined in the Catpo Mutant - E484A, PDB code: 7wca:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 10 in 7wca

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Calcium binding site 1 out of 10 in the Catpo Mutant - E484A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Catpo Mutant - E484A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca701

b:40.8
occ:1.00
 O A:HOH1241 2.1 24.0 1.0
O A:HOH827 2.1 18.7 1.0
O D:HOH1226 2.1 23.5 1.0
O C:HOH836 2.2 21.0 1.0
O D:HOH1257 2.2 26.0 1.0
O B:HOH1224 2.2 30.2 1.0
O D:GLY378 4.0 19.9 1.0
O A:GLY378 4.0 17.8 1.0
O B:GLY378 4.1 18.6 1.0
O C:GLY378 4.2 17.2 1.0
O A:HOH1158 4.3 23.2 1.0
O B:HOH1123 4.3 25.0 1.0
O C:HOH1129 4.4 25.2 1.0
O D:HOH1060 4.5 25.6 1.0
CA D:GLY378 4.6 17.3 1.0
CA A:GLY378 4.6 15.0 1.0
CA B:GLY378 4.7 14.8 1.0
CA C:GLY378 4.8 15.8 1.0
C D:GLY378 4.8 18.4 1.0
C A:GLY378 4.8 16.8 1.0
C B:GLY378 4.9 16.2 1.0
C C:GLY378 4.9 17.1 1.0

Calcium binding site 2 out of 10 in 7wca

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Calcium binding site 2 out of 10 in the Catpo Mutant - E484A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Catpo Mutant - E484A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca702

b:23.9
occ:1.00
 ND1 A:HIS190 3.2 16.9 1.0
O A:HOH1220 3.2 28.5 1.0
O B:HOH1018 3.2 15.5 1.0
N A:SER192 3.3 15.3 1.0
OG A:SER192 3.4 14.3 1.0
N A:ASP191 3.7 16.0 1.0
CB A:SER192 3.7 14.8 1.0
CD A:ARG178 3.7 14.9 1.0
CB A:HIS190 3.9 16.7 1.0
CB A:ASP191 3.9 16.8 1.0
CG A:ARG178 4.0 15.0 1.0
CG A:HIS190 4.0 15.7 1.0
CB A:ARG178 4.0 14.7 1.0
CA A:SER192 4.1 15.3 1.0
CA A:ASP191 4.1 15.7 1.0
C A:ASP191 4.1 15.2 1.0
CE1 A:HIS190 4.2 17.5 1.0
C A:HIS190 4.3 15.1 1.0
CE1 B:TYR412 4.6 16.0 1.0
O A:HOH1090 4.6 13.6 1.0
CA A:HIS190 4.6 15.6 1.0
CA A:ARG178 4.8 14.6 1.0
CG A:ASP191 4.9 18.6 1.0
NE A:ARG178 4.9 14.4 1.0
OD1 A:ASP191 5.0 19.2 1.0

Calcium binding site 3 out of 10 in 7wca

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Calcium binding site 3 out of 10 in the Catpo Mutant - E484A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Catpo Mutant - E484A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca703

b:32.1
occ:1.00
 O A:HOH1233 3.0 21.5 1.0
NH1 B:ARG449 3.1 17.0 1.0
O A:HOH840 3.2 18.6 1.0
N A:THR437 3.3 16.9 1.0
CD B:ARG449 3.7 16.4 1.0
CA A:PHE436 3.7 17.3 1.0
O B:HOH973 3.9 25.5 1.0
CB A:THR437 3.9 16.9 1.0
OG1 A:THR437 3.9 16.1 1.0
C A:PHE436 4.0 16.2 1.0
CB A:PHE436 4.0 17.0 1.0
O A:HOH1164 4.1 19.5 1.0
CZ B:ARG449 4.1 16.7 1.0
CA A:THR437 4.2 17.2 1.0
CG B:ARG449 4.2 16.2 1.0
NE B:ARG449 4.4 15.9 1.0
CB B:ARG449 4.5 18.3 1.0
O A:HOH1006 4.5 18.3 1.0
O A:THR437 4.5 18.8 1.0
O B:HOH1070 4.8 22.9 1.0
O A:PHE435 4.9 16.5 1.0
N B:ARG449 4.9 18.6 1.0
C A:THR437 4.9 19.0 1.0
N A:PHE436 5.0 17.6 1.0

Calcium binding site 4 out of 10 in 7wca

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Calcium binding site 4 out of 10 in the Catpo Mutant - E484A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Catpo Mutant - E484A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca704

b:34.9
occ:1.00
 O B:HOH1234 3.0 19.2 1.0
NH1 A:ARG449 3.0 17.9 1.0
N B:THR437 3.3 16.9 1.0
O B:HOH818 3.4 20.6 1.0
CD A:ARG449 3.6 15.6 1.0
CA B:PHE436 3.8 16.9 1.0
CB B:THR437 3.8 15.5 1.0
OG1 B:THR437 3.9 17.5 1.0
CG A:ARG449 4.0 15.3 1.0
C B:PHE436 4.1 15.9 1.0
CZ A:ARG449 4.1 16.4 1.0
CB B:PHE436 4.1 16.1 1.0
CA B:THR437 4.1 16.4 1.0
NE A:ARG449 4.3 16.8 1.0
O B:HOH1115 4.4 16.9 1.0
CB A:ARG449 4.4 16.1 1.0
O B:THR437 4.5 14.6 1.0
CD1 C:LEU49 4.9 15.9 1.0
C B:THR437 4.9 17.0 1.0
O A:HOH1231 4.9 22.6 1.0
O B:PHE435 4.9 15.3 1.0
O B:HOH831 4.9 19.6 1.0
N A:ARG449 5.0 16.6 1.0
O B:HOH879 5.0 15.4 1.0

Calcium binding site 5 out of 10 in 7wca

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Calcium binding site 5 out of 10 in the Catpo Mutant - E484A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Catpo Mutant - E484A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca701

b:23.4
occ:1.00
 O B:HOH1235 3.1 21.9 1.0
N B:SER192 3.2 16.1 1.0
O A:HOH905 3.2 17.0 1.0
ND1 B:HIS190 3.2 17.0 1.0
OG B:SER192 3.4 15.8 1.0
N B:ASP191 3.6 16.8 1.0
CB B:SER192 3.7 15.9 1.0
CD B:ARG178 3.7 16.2 1.0
CB B:HIS190 3.8 17.4 1.0
CB B:ASP191 3.9 17.9 1.0
CG B:HIS190 4.0 16.5 1.0
CG B:ARG178 4.0 16.1 1.0
CA B:SER192 4.0 15.3 1.0
CB B:ARG178 4.0 16.2 1.0
CA B:ASP191 4.0 16.8 1.0
C B:ASP191 4.1 15.9 1.0
C B:HIS190 4.3 16.8 1.0
CE1 B:HIS190 4.3 17.2 1.0
CE1 A:TYR412 4.4 17.3 1.0
O B:HOH981 4.6 16.9 1.0
CA B:HIS190 4.6 16.8 1.0
CG B:ASP191 4.9 20.4 1.0
O B:HOH1200 4.9 33.9 1.0
O B:HOH1117 4.9 27.6 1.0
CA B:ARG178 4.9 15.7 1.0
OD1 B:ASP191 5.0 20.1 1.0
NE B:ARG178 5.0 16.9 1.0

Calcium binding site 6 out of 10 in 7wca

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Calcium binding site 6 out of 10 in the Catpo Mutant - E484A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Catpo Mutant - E484A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca702

b:30.6
occ:1.00
 OG B:SER255 3.0 26.8 1.0
O B:HOH1093 3.0 18.7 1.0
O B:HOH1121 3.0 33.4 1.0
O B:HOH970 3.1 24.2 1.0
CD2 B:PHE476 3.8 24.8 1.0
CA B:GLY213 3.8 16.7 1.0
CB B:SER255 3.8 22.2 1.0
CG2 B:VAL539 4.1 38.0 1.0
N B:GLY213 4.1 17.0 1.0
CE2 B:PHE476 4.2 26.3 1.0
O B:HOH1126 4.5 20.6 1.0
NH1 B:ARG689 4.6 22.4 1.0
OE2 B:GLU473 4.7 31.2 1.0
CB B:ILE538 4.8 23.2 1.0
CG2 B:ILE538 4.8 22.1 1.0
CG B:GLU473 4.8 28.1 1.0
O B:LEU256 4.8 20.3 1.0
CD1 B:ILE538 4.9 26.8 1.0
CG B:PHE476 4.9 24.0 1.0
O B:HOH1135 5.0 22.1 1.0

Calcium binding site 7 out of 10 in 7wca

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Calcium binding site 7 out of 10 in the Catpo Mutant - E484A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Catpo Mutant - E484A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca701

b:25.2
occ:1.00
 O C:HOH1245 3.0 26.5 1.0
O D:HOH1039 3.0 18.7 1.0
ND1 C:HIS190 3.2 17.9 1.0
N C:SER192 3.3 18.7 1.0
OG C:SER192 3.6 19.4 1.0
CB C:SER192 3.7 19.2 1.0
CD C:ARG178 3.8 19.1 1.0
N C:ASP191 3.8 19.1 1.0
CB C:HIS190 3.9 18.8 1.0
CB C:ASP191 3.9 20.6 1.0
CG C:ARG178 4.0 17.4 1.0
CG C:HIS190 4.0 17.9 1.0
CB C:ARG178 4.0 17.1 1.0
CA C:SER192 4.1 18.6 1.0
CA C:ASP191 4.1 20.3 1.0
C C:ASP191 4.2 19.5 1.0
CE1 C:HIS190 4.3 17.4 1.0
C C:HIS190 4.3 19.5 1.0
CE1 D:TYR412 4.4 20.1 1.0
O C:HOH1033 4.4 17.1 1.0
CA C:HIS190 4.6 19.7 1.0
CG C:ASP191 4.9 21.5 1.0
CA C:ARG178 4.9 16.6 1.0
NE C:ARG178 5.0 19.2 1.0
OD1 C:ASP191 5.0 19.9 1.0

Calcium binding site 8 out of 10 in 7wca

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Calcium binding site 8 out of 10 in the Catpo Mutant - E484A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Catpo Mutant - E484A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca702

b:29.2
occ:1.00
 OG C:SER255 2.8 17.7 1.0
O C:HOH1167 3.0 17.5 1.0
O C:HOH1151 3.1 25.0 1.0
O C:HOH1087 3.3 17.8 1.0
CB C:SER255 3.7 17.4 1.0
CD2 C:PHE476 3.7 23.7 1.0
CA C:GLY213 3.8 16.2 1.0
CG2 C:VAL539 4.0 33.4 1.0
N C:GLY213 4.2 15.3 1.0
CE2 C:PHE476 4.2 25.6 1.0
O C:HOH1106 4.4 19.2 1.0
NH1 C:ARG689 4.5 24.3 1.0
CG C:GLU473 4.6 27.3 1.0
CG2 C:ILE538 4.7 21.9 1.0
OE2 C:GLU473 4.7 26.4 1.0
CB C:ILE538 4.7 22.2 1.0
O C:LEU256 4.8 18.2 1.0
CG C:PHE476 4.9 24.3 1.0
CD1 C:ILE538 4.9 24.4 1.0

Calcium binding site 9 out of 10 in 7wca

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Calcium binding site 9 out of 10 in the Catpo Mutant - E484A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Catpo Mutant - E484A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca701

b:23.1
occ:1.00
 O C:HOH1140 3.0 24.4 1.0
O D:HOH1234 3.2 21.2 1.0
ND1 D:HIS190 3.3 18.6 1.0
N D:SER192 3.3 17.4 1.0
OG D:SER192 3.6 18.2 1.0
CB D:SER192 3.6 17.8 1.0
CD D:ARG178 3.7 16.4 1.0
N D:ASP191 3.7 18.0 1.0
CB D:HIS190 3.8 18.4 1.0
CG D:ARG178 3.9 16.2 1.0
CB D:ARG178 4.0 14.7 1.0
CG D:HIS190 4.0 17.8 1.0
CA D:SER192 4.0 16.0 1.0
CB D:ASP191 4.1 18.8 1.0
C D:ASP191 4.2 18.3 1.0
CA D:ASP191 4.2 18.7 1.0
C D:HIS190 4.3 18.7 1.0
CE1 D:HIS190 4.3 17.9 1.0
CE1 C:TYR412 4.4 19.7 1.0
O D:HOH1043 4.5 17.2 1.0
CA D:HIS190 4.6 19.7 1.0
O D:HOH1016 4.7 29.6 1.0
CA D:ARG178 4.8 15.9 1.0
NE D:ARG178 4.9 17.3 1.0
CG D:ASP191 5.0 21.0 1.0

Calcium binding site 10 out of 10 in 7wca

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Calcium binding site 10 out of 10 in the Catpo Mutant - E484A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of Catpo Mutant - E484A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca702

b:29.0
occ:1.00
 OG D:SER255 2.9 20.9 1.0
O D:HOH1142 3.1 18.2 1.0
O D:HOH1033 3.1 21.9 1.0
O D:HOH1029 3.3 20.6 1.0
CB D:SER255 3.7 21.5 1.0
CD2 D:PHE476 3.7 20.7 1.0
CA D:GLY213 3.8 17.6 1.0
N D:GLY213 4.2 17.7 1.0
CE2 D:PHE476 4.2 22.1 1.0
CG2 D:VAL539 4.2 36.6 1.0
CG D:GLU473 4.5 28.5 1.0
O D:HOH1085 4.5 17.3 1.0
NH1 D:ARG689 4.5 22.4 1.0
CB D:ILE538 4.7 23.2 1.0
OE2 D:GLU473 4.7 29.1 1.0
CG2 D:ILE538 4.7 23.9 1.0
CD1 D:ILE538 4.7 25.8 1.0
O D:LEU256 4.9 16.4 1.0
CG D:PHE476 4.9 22.4 1.0

Reference:

Y.Yuzugullu Karakus, S.Balci Unver, M.Zengin Karatas, G.Goc, A.R.Pearson, B.Yorke. Catpo Mutant - E484A To Be Published.
Page generated: Fri Jul 19 05:40:33 2024

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