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Calcium in PDB 5xzn: Catpo Mutant - V228C

Enzymatic activity of Catpo Mutant - V228C

All present enzymatic activity of Catpo Mutant - V228C:
1.11.1.6;

Protein crystallography data

The structure of Catpo Mutant - V228C, PDB code: 5xzn was solved by Y.Yuzugullu Karakus, S.Balci, 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) 112.84 / 1.47
Space group I 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 125.121, 121.080, 185.119, 90.00, 101.96, 90.00
R / Rfree (%) 14.7 / 17.6

Other elements in 5xzn:

The structure of Catpo Mutant - V228C also contains other interesting chemical elements:

Iron (Fe) 4 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Catpo Mutant - V228C (pdb code 5xzn). 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 - V228C, PDB code: 5xzn:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 10 in 5xzn

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Calcium binding site 1 out of 10 in the Catpo Mutant - V228C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Catpo Mutant - V228C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca702

b:11.0
occ:1.00
 O A:HOH1241 3.1 19.4 1.0
O A:HOH1299 3.1 15.9 1.0
ND1 A:HIS190 3.2 7.3 1.0
N A:SER192 3.2 6.7 1.0
OG A:SER192 3.4 6.6 1.0
CB A:SER192 3.7 6.3 1.0
CD A:ARG178 3.7 7.5 1.0
CB A:HIS190 3.7 7.0 1.0
N A:ASP191 3.7 7.7 1.0
CG A:HIS190 3.9 6.8 1.0
CB A:ARG178 3.9 6.5 1.0
CG A:ARG178 3.9 7.2 1.0
CA A:SER192 4.1 6.3 1.0
CB A:ASP191 4.1 8.4 1.0
C A:ASP191 4.2 7.2 1.0
CA A:ASP191 4.2 7.1 1.0
C A:HIS190 4.2 6.5 1.0
CE1 A:HIS190 4.3 7.3 1.0
O A:HOH1077 4.4 7.8 1.0
CA A:HIS190 4.6 7.1 1.0
CE1 B:TYR412 4.6 8.8 1.0
CA A:ARG178 4.7 6.0 1.0
NZ A:LYS489 4.8 6.5 0.5
O A:HIS190 4.9 7.2 1.0
NE A:ARG178 4.9 7.4 1.0
N A:ARG178 4.9 5.5 1.0

Calcium binding site 2 out of 10 in 5xzn

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Calcium binding site 2 out of 10 in the Catpo Mutant - V228C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Catpo Mutant - V228C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca703

b:11.0
occ:0.50
 O A:HOH1373 2.9 15.0 1.0
NH1 B:ARG449 3.1 9.8 1.0
N A:THR437 3.3 9.9 1.0
O A:HOH834 3.3 16.2 1.0
CD B:ARG449 3.7 10.0 1.0
CA A:PHE436 3.8 9.3 1.0
CB A:THR437 3.9 10.1 1.0
O B:HOH1067 3.9 23.2 1.0
OG1 A:THR437 4.0 10.2 1.0
C A:PHE436 4.1 8.9 1.0
CG B:ARG449 4.1 9.5 1.0
CB A:PHE436 4.1 10.6 1.0
O A:HOH1270 4.1 13.0 1.0
CZ B:ARG449 4.1 9.9 1.0
CA A:THR437 4.2 10.3 1.0
NE B:ARG449 4.4 9.9 1.0
CB B:ARG449 4.4 9.9 1.0
O A:HOH893 4.5 13.6 1.0
O A:THR437 4.5 11.1 1.0
O B:HOH897 4.8 22.2 1.0
N B:ARG449 4.9 10.2 1.0
O A:PHE435 4.9 10.4 1.0
C A:THR437 4.9 10.7 1.0
O A:HOH1086 5.0 12.9 1.0
CD1 D:LEU49 5.0 9.1 1.0
O B:HOH1362 5.0 21.2 1.0

Calcium binding site 3 out of 10 in 5xzn

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Calcium binding site 3 out of 10 in the Catpo Mutant - V228C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Catpo Mutant - V228C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca704

b:16.6
occ:0.70
 O A:HOH1316 2.6 28.5 1.0
O B:HOH1339 2.9 13.3 1.0
NH1 A:ARG449 3.1 8.9 1.0
N B:THR437 3.2 7.8 1.0
O B:HOH849 3.4 17.6 1.0
CD A:ARG449 3.7 7.7 1.0
CB B:THR437 3.8 8.2 1.0
CA B:PHE436 3.8 7.9 1.0
OG1 B:THR437 3.9 8.9 1.0
C B:PHE436 4.0 7.7 1.0
CG A:ARG449 4.1 8.0 1.0
CB B:PHE436 4.1 7.8 1.0
CA B:THR437 4.1 7.5 1.0
O A:HOH1195 4.1 22.4 1.0
CZ A:ARG449 4.2 9.1 1.0
O B:HOH1228 4.3 11.5 1.0
NE A:ARG449 4.4 7.4 1.0
CB A:ARG449 4.4 8.7 1.0
O B:THR437 4.5 9.5 1.0
O B:HOH1149 4.6 14.3 1.0
O A:HOH1378 4.8 15.7 1.0
C B:THR437 4.8 8.7 1.0
O B:PHE435 4.9 9.0 1.0
O A:HOH1023 4.9 30.1 1.0
O B:HOH987 4.9 11.1 1.0
CD1 C:LEU49 5.0 8.2 1.0
N A:ARG449 5.0 9.2 1.0

Calcium binding site 4 out of 10 in 5xzn

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Calcium binding site 4 out of 10 in the Catpo Mutant - V228C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Catpo Mutant - V228C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca705

b:11.7
occ:0.50
 O B:HOH917 1.9 15.6 1.0
O A:HOH1397 2.0 24.0 1.0
O D:HOH908 2.0 16.1 1.0
O B:HOH1326 2.1 20.6 1.0
O B:HOH1371 2.1 26.0 1.0
O C:HOH1380 2.2 21.6 1.0
O C:GLY378 4.1 12.4 1.0
O B:GLY378 4.1 12.4 1.0
O D:GLY378 4.2 11.9 1.0
O A:GLY378 4.2 14.7 1.0
O C:HOH1220 4.2 18.1 1.0
O D:HOH1128 4.3 18.4 1.0
O B:HOH1029 4.3 18.3 1.0
O A:HOH1102 4.3 17.9 1.0
O C:HOH1272 4.4 22.2 1.0
O A:HOH1282 4.4 22.4 1.0
O B:HOH1281 4.5 23.0 1.0
O D:HOH1260 4.6 27.4 1.0
CA B:GLY378 4.7 8.4 1.0
CA D:GLY378 4.7 9.1 1.0
CA C:GLY378 4.7 8.0 1.0
CA A:GLY378 4.8 10.4 1.0
C B:GLY378 4.8 9.5 1.0
C D:GLY378 4.9 9.2 1.0
C C:GLY378 4.9 9.4 1.0
C A:GLY378 4.9 12.4 1.0

Calcium binding site 5 out of 10 in 5xzn

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Calcium binding site 5 out of 10 in the Catpo Mutant - V228C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Catpo Mutant - V228C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca706

b:21.6
occ:1.00
 O A:HOH1120 2.9 14.3 1.0
OG A:SER255 3.0 16.0 1.0
O A:HOH1003 3.3 15.7 1.0
O A:HOH1176 3.4 27.2 1.0
CD2 A:PHE476 3.8 15.2 1.0
CA A:GLY213 3.8 9.7 1.0
CB A:SER255 3.9 13.2 1.0
CG2 A:VAL539 4.0 26.1 1.0
N A:GLY213 4.1 9.2 1.0
CE2 A:PHE476 4.2 15.2 1.0
O A:HOH1191 4.3 11.6 1.0
CG A:GLU473 4.6 19.3 1.0
OE2 A:GLU473 4.6 17.3 1.0
NH1 A:ARG689 4.7 18.8 1.0
CG2 A:ILE538 4.7 17.5 1.0
CB A:ILE538 4.8 15.7 1.0
O A:LEU256 4.8 12.1 1.0
CD1 A:ILE538 4.8 16.2 1.0
CG A:PHE476 4.9 12.6 1.0

Calcium binding site 6 out of 10 in 5xzn

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Calcium binding site 6 out of 10 in the Catpo Mutant - V228C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Catpo Mutant - V228C within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca702

b:9.0
occ:0.70
 O B:HOH1332 3.0 20.5 1.0
O B:HOH1275 3.1 18.6 1.0
ND1 B:HIS190 3.2 10.2 1.0
N B:SER192 3.3 8.7 1.0
OG B:SER192 3.4 9.2 1.0
CB B:SER192 3.6 8.7 1.0
CD B:ARG178 3.7 9.7 1.0
N B:ASP191 3.7 10.1 1.0
CB B:HIS190 3.8 9.8 1.0
CB B:ARG178 3.9 8.7 1.0
CG B:HIS190 3.9 9.2 1.0
CG B:ARG178 4.0 9.0 1.0
CA B:SER192 4.0 8.9 1.0
CB B:ASP191 4.1 12.6 1.0
CA B:ASP191 4.1 9.8 1.0
C B:ASP191 4.2 10.2 1.0
CE1 B:HIS190 4.3 10.7 1.0
C B:HIS190 4.3 8.8 1.0
O B:HOH1127 4.4 10.4 1.0
CE1 A:TYR412 4.5 12.6 1.0
CA B:HIS190 4.6 9.0 1.0
O B:HOH1110 4.7 25.1 1.0
CA B:ARG178 4.8 8.6 1.0
NH1 B:ARG178 4.9 14.1 1.0
NE B:ARG178 4.9 10.2 1.0
O B:HIS190 4.9 9.2 1.0

Calcium binding site 7 out of 10 in 5xzn

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Calcium binding site 7 out of 10 in the Catpo Mutant - V228C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Catpo Mutant - V228C within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca703

b:26.1
occ:1.00
 O B:HOH1193 3.0 19.1 1.0
OG B:SER255 3.0 19.1 1.0
O B:HOH1177 3.0 29.4 1.0
O B:HOH941 3.3 16.7 1.0
CD2 B:PHE476 3.7 17.7 1.0
CA B:GLY213 3.8 11.9 1.0
CB B:SER255 3.9 14.3 1.0
CE2 B:PHE476 4.1 19.8 1.0
N B:GLY213 4.1 11.6 1.0
CG2 B:VAL539 4.1 39.0 1.0
O B:HOH1157 4.2 14.5 1.0
CG B:GLU473 4.3 22.5 1.0
NH1 B:ARG689 4.6 19.8 1.0
OE2 B:GLU473 4.7 25.1 1.0
O B:LEU256 4.7 13.1 1.0
CG B:PHE476 4.8 17.9 1.0
CB B:ILE538 4.8 19.6 1.0
CD1 B:ILE538 4.9 20.4 1.0
CG2 B:ILE538 4.9 20.0 1.0

Calcium binding site 8 out of 10 in 5xzn

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Calcium binding site 8 out of 10 in the Catpo Mutant - V228C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Catpo Mutant - V228C within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca702

b:14.5
occ:0.70
 O C:HOH1084 3.0 12.9 1.0
OG C:SER255 3.0 14.5 1.0
O C:HOH966 3.2 13.6 1.0
O C:HOH1095 3.2 20.2 1.0
CD2 C:PHE476 3.8 13.5 1.0
CB C:SER255 3.8 11.3 1.0
CA C:GLY213 3.8 8.8 1.0
CG2 C:VAL539 3.9 23.6 1.0
N C:GLY213 4.1 9.1 1.0
CE2 C:PHE476 4.2 15.0 1.0
O C:HOH1061 4.4 12.9 1.0
OE2 C:GLU473 4.6 17.6 1.0
NH1 C:ARG689 4.6 14.6 1.0
CG C:GLU473 4.7 17.5 1.0
O C:LEU256 4.7 12.1 1.0
CB C:ILE538 4.8 13.9 1.0
CG2 C:ILE538 4.8 13.3 1.0
CG C:PHE476 4.9 12.2 1.0

Calcium binding site 9 out of 10 in 5xzn

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Calcium binding site 9 out of 10 in the Catpo Mutant - V228C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Catpo Mutant - V228C within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca702

b:14.3
occ:1.00
 O C:HOH1327 3.1 18.2 1.0
O D:HOH1362 3.2 18.0 1.0
ND1 D:HIS190 3.2 10.0 1.0
N D:SER192 3.2 9.7 1.0
OG D:SER192 3.4 9.2 1.0
CB D:SER192 3.7 8.3 1.0
CD D:ARG178 3.7 10.7 1.0
N D:ASP191 3.7 10.2 1.0
CB D:HIS190 3.8 9.2 1.0
CG D:ARG178 3.9 9.6 1.0
CG D:HIS190 3.9 8.2 1.0
CB D:ARG178 3.9 9.1 1.0
CA D:SER192 4.0 8.6 1.0
CB D:ASP191 4.1 11.0 1.0
C D:ASP191 4.2 10.5 1.0
CA D:ASP191 4.2 10.3 1.0
C D:HIS190 4.2 9.5 1.0
CE1 D:HIS190 4.3 8.2 1.0
O D:HOH1172 4.5 9.4 1.0
CE1 C:TYR412 4.5 12.6 1.0
CA D:HIS190 4.6 9.7 1.0
CA D:ARG178 4.8 8.7 1.0
O D:HOH1310 4.9 21.7 1.0
NE D:ARG178 4.9 10.9 1.0
O D:HIS190 4.9 9.6 1.0

Calcium binding site 10 out of 10 in 5xzn

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Calcium binding site 10 out of 10 in the Catpo Mutant - V228C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of Catpo Mutant - V228C within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca703

b:15.1
occ:0.60
 O D:HOH1209 2.9 16.5 1.0
OG D:SER255 3.0 19.4 1.0
O D:HOH1138 3.3 14.8 1.0
O D:HOH1186 3.3 25.8 1.0
CD2 D:PHE476 3.8 16.7 1.0
CA D:GLY213 3.8 10.1 1.0
CB D:SER255 3.8 15.7 1.0
CG2 D:VAL539 4.1 34.8 1.0
N D:GLY213 4.1 11.4 1.0
CE2 D:PHE476 4.2 16.7 1.0
O D:HOH1010 4.4 14.4 1.0
NH1 D:ARG689 4.6 17.9 1.0
OE2 D:GLU473 4.6 28.0 1.0
CG D:GLU473 4.7 25.1 1.0
O D:LEU256 4.8 12.7 1.0
CD1 D:ILE538 4.8 21.2 1.0
CB D:ILE538 4.8 19.7 1.0
CG D:PHE476 4.8 14.4 1.0
CG2 D:ILE538 4.9 19.4 1.0
CB D:PHE476 5.0 14.7 1.0

Reference:

Y.Yuzugullu Karakus, S.Balci, G.Goc, A.R.Pearson, B.Yorke. Catpo Mutant - V228C To Be Published.
Page generated: Mon Jul 15 15:12:54 2024

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