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Chlorine in PDB 3zhc: Structure of the Phytase From Citrobacter Braakii at 2.3 Angstrom Resolution.

Protein crystallography data

The structure of Structure of the Phytase From Citrobacter Braakii at 2.3 Angstrom Resolution., PDB code: 3zhc was solved by K.S.Wilson, A.Ariza, I.Sanchez-Romero, M.Skjot, J.Vind, L.Demaria, L.K.Skov, J.M.Sanchez-Ruiz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.08 / 2.30
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 121.510, 121.510, 129.110, 90.00, 90.00, 120.00
R / Rfree (%) 19.48 / 23.726

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of the Phytase From Citrobacter Braakii at 2.3 Angstrom Resolution. (pdb code 3zhc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the Structure of the Phytase From Citrobacter Braakii at 2.3 Angstrom Resolution., PDB code: 3zhc:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 3zhc

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Chlorine binding site 1 out of 10 in the Structure of the Phytase From Citrobacter Braakii at 2.3 Angstrom Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Phytase From Citrobacter Braakii at 2.3 Angstrom Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1418

b:27.7
occ:1.00
 N A:TRP37 3.1 19.3 1.0
NZ B:LYS377 3.4 28.6 0.5
CE B:LYS377 3.4 28.9 0.5
CA A:GLN36 3.6 19.8 1.0
CD B:LYS377 3.7 29.1 0.5
CZ A:PHE25 3.7 24.7 1.0
CB A:GLN36 3.8 19.9 1.0
CD1 A:TRP37 3.8 18.5 1.0
C A:GLN36 3.8 19.5 1.0
CG A:GLN36 4.0 20.7 1.0
CB A:TRP37 4.1 19.1 1.0
CA A:TRP37 4.1 19.1 1.0
CE B:LYS377 4.2 29.7 0.5
CG A:LYS30 4.2 23.2 1.0
CE1 A:PHE25 4.2 24.3 1.0
O A:TRP37 4.4 19.0 1.0
CG A:TRP37 4.4 18.5 1.0
CD B:LYS377 4.4 29.6 0.5
CG B:LYS377 4.6 29.2 0.5
NZ B:LYS377 4.6 29.8 0.5
CG B:LYS377 4.7 29.5 0.5
O A:ASP35 4.7 19.8 1.0
O A:HOH2026 4.8 10.9 1.0
CD A:LYS30 4.8 24.2 1.0
CB A:LYS30 4.8 22.6 1.0
CD A:GLN36 4.8 21.9 1.0
C A:TRP37 4.8 19.1 1.0
N A:GLN36 4.8 19.8 1.0
CE2 A:PHE25 4.8 24.8 1.0
NE2 A:GLN36 4.8 22.8 1.0
CE A:LYS30 4.9 24.7 1.0
NE1 A:TRP37 5.0 18.2 1.0

Chlorine binding site 2 out of 10 in 3zhc

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Chlorine binding site 2 out of 10 in the Structure of the Phytase From Citrobacter Braakii at 2.3 Angstrom Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Phytase From Citrobacter Braakii at 2.3 Angstrom Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1419

b:55.1
occ:1.00
 N A:ASN73 3.5 42.5 1.0
ND2 A:ASN73 3.6 42.6 1.0
N A:SER79 3.6 37.1 1.0
CG A:GLN82 3.6 32.8 1.0
CG A:ASN73 3.7 42.6 1.0
OE1 A:GLN82 3.8 34.0 1.0
CA A:PRO78 3.9 37.7 1.0
CB A:ASN73 4.0 42.5 1.0
CB A:GLN82 4.0 32.2 1.0
CD A:GLN82 4.0 33.5 1.0
CA A:LEU72 4.2 42.4 1.0
OE1 A:GLN75 4.2 42.6 1.0
CB A:PRO78 4.2 37.7 1.0
OD1 A:ASN73 4.2 42.8 1.0
OG A:SER79 4.3 37.1 1.0
C A:PRO78 4.3 37.5 1.0
C A:LEU72 4.3 42.5 1.0
CA A:ASN73 4.4 42.5 1.0
CD2 A:LEU72 4.4 42.3 1.0
CB A:SER79 4.4 36.9 1.0
CB A:LEU72 4.5 42.4 1.0
CA A:SER79 4.6 36.9 1.0
O A:ASN73 4.9 42.4 1.0

Chlorine binding site 3 out of 10 in 3zhc

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Chlorine binding site 3 out of 10 in the Structure of the Phytase From Citrobacter Braakii at 2.3 Angstrom Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the Phytase From Citrobacter Braakii at 2.3 Angstrom Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1420

b:27.4
occ:1.00
 NE2 A:GLN226 3.1 13.5 1.0
O A:HOH2014 3.3 34.2 1.0
O B:HOH2151 3.4 26.5 1.0
N A:ARG50 3.4 18.5 1.0
CD A:PRO49 3.5 18.0 1.0
CB A:ARG50 3.7 18.6 0.5
CB A:ARG50 3.7 18.7 0.5
CG A:PRO49 3.8 18.2 1.0
CB A:PRO49 3.8 18.2 1.0
N A:PRO49 3.8 18.0 1.0
O A:HOH2050 3.9 46.6 1.0
CB A:THR48 4.0 17.4 1.0
CA A:ARG50 4.2 18.6 0.5
CA A:ARG50 4.2 18.6 0.5
CA A:PRO49 4.2 18.2 1.0
CD A:GLN226 4.3 14.3 1.0
C A:PRO49 4.3 18.3 1.0
OG1 A:THR48 4.4 17.2 1.0
C A:THR48 4.6 17.7 1.0
OE1 A:GLN226 4.6 14.1 1.0
NH2 B:ARG158 4.6 26.2 1.0
NE B:ARG158 4.6 25.5 1.0
NE A:ARG50 4.6 20.1 0.5
O A:HOH2048 4.6 24.9 1.0
CZ B:ARG158 4.7 26.1 1.0
O A:HOH2195 4.7 24.8 1.0
CA A:THR48 4.8 17.5 1.0
CG2 A:THR48 4.9 16.9 1.0
OH B:TYR159 4.9 17.6 1.0
CG A:ARG50 5.0 18.9 0.5
CG A:ARG50 5.0 19.2 0.5

Chlorine binding site 4 out of 10 in 3zhc

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Chlorine binding site 4 out of 10 in the Structure of the Phytase From Citrobacter Braakii at 2.3 Angstrom Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the Phytase From Citrobacter Braakii at 2.3 Angstrom Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1421

b:31.8
occ:1.00
 N A:LYS129 3.1 32.8 1.0
CA A:ASN126 3.3 30.6 1.0
C A:ASN126 3.3 30.7 1.0
N A:VAL128 3.4 31.6 1.0
CB A:ASN126 3.5 30.8 1.0
NE A:ARG266 3.6 23.3 1.0
O A:ASN126 3.7 30.7 1.0
CB A:VAL128 3.7 32.0 1.0
N A:PRO127 3.7 30.9 1.0
CG A:LYS129 3.7 33.6 1.0
CB A:LYS129 3.8 33.3 1.0
CA A:VAL128 3.8 32.0 1.0
CG A:ARG266 3.8 21.5 1.0
C A:VAL128 4.0 32.4 1.0
CD A:PRO127 4.0 30.9 1.0
CA A:LYS129 4.0 33.2 1.0
CD A:ARG266 4.1 22.3 1.0
C A:PRO127 4.3 31.3 1.0
CG2 A:VAL128 4.4 31.9 1.0
CD A:LYS129 4.4 34.2 1.0
CZ A:ARG266 4.5 23.7 1.0
CA A:PRO127 4.6 31.1 1.0
CG A:ASN126 4.6 31.4 1.0
N A:ASN126 4.6 30.3 1.0
NH2 A:ARG266 4.6 24.0 1.0
OD1 A:ASN126 4.7 32.7 1.0
CG A:PRO127 4.7 31.0 1.0
O A:PHE125 4.8 29.8 1.0
CG1 A:VAL128 4.8 32.1 1.0
CB A:ARG266 4.8 20.7 1.0
O A:HOH2249 4.9 39.9 1.0
O A:ASP202 4.9 27.9 1.0

Chlorine binding site 5 out of 10 in 3zhc

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Chlorine binding site 5 out of 10 in the Structure of the Phytase From Citrobacter Braakii at 2.3 Angstrom Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of the Phytase From Citrobacter Braakii at 2.3 Angstrom Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1421

b:22.6
occ:1.00
 O B:HOH2038 3.0 25.3 1.0
N B:TRP37 3.3 14.1 1.0
CA B:GLN36 3.6 14.0 1.0
CZ B:PHE25 3.8 14.0 1.0
CB B:GLN36 3.9 13.9 1.0
C B:GLN36 4.0 14.0 1.0
CD1 B:TRP37 4.0 12.9 1.0
CG B:LYS30 4.0 15.2 1.0
CG B:GLN36 4.0 14.0 1.0
CB B:TRP37 4.2 14.1 1.0
CE1 B:PHE25 4.2 14.1 1.0
CA B:TRP37 4.3 14.1 1.0
CD B:LYS30 4.5 15.8 1.0
CG B:TRP37 4.5 13.3 1.0
O B:TRP37 4.6 14.6 1.0
CE B:LYS30 4.6 16.1 1.0
CB B:LYS30 4.7 14.8 1.0
O B:ASP35 4.7 13.8 1.0
CE2 B:PHE25 4.8 14.4 1.0
N B:GLN36 4.9 13.9 1.0
O B:HOH2034 4.9 9.5 1.0
NE2 B:GLN39 5.0 18.0 1.0
O B:HOH2041 5.0 16.1 1.0

Chlorine binding site 6 out of 10 in 3zhc

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Chlorine binding site 6 out of 10 in the Structure of the Phytase From Citrobacter Braakii at 2.3 Angstrom Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of the Phytase From Citrobacter Braakii at 2.3 Angstrom Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1422

b:56.6
occ:1.00
 O B:HOH2015 3.2 21.5 1.0
O B:HOH2183 3.5 29.0 1.0
NE2 B:GLN257 3.6 14.7 1.0
CD1 B:LEU256 3.8 12.6 1.0
O B:HOH2179 3.9 25.8 1.0
CB B:LEU256 4.2 13.3 1.0
CE1 B:PHE253 4.3 13.6 1.0
CG B:GLN257 4.4 14.0 1.0
NE2 B:GLN252 4.4 12.0 0.5
CZ B:PHE253 4.5 13.3 1.0
CD B:GLN257 4.5 14.5 1.0
CD1 B:PHE253 4.6 13.3 1.0
CG B:LEU256 4.7 13.2 1.0
O B:HOH2184 4.8 20.4 1.0
O B:HOH2178 4.8 36.0 1.0
CG2 B:THR304 4.8 10.9 1.0
CE2 B:PHE253 5.0 13.3 1.0

Chlorine binding site 7 out of 10 in 3zhc

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Chlorine binding site 7 out of 10 in the Structure of the Phytase From Citrobacter Braakii at 2.3 Angstrom Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of the Phytase From Citrobacter Braakii at 2.3 Angstrom Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1423

b:51.7
occ:1.00
 O B:THR188 3.6 25.7 1.0
N B:ALA192 3.6 22.4 1.0
NZ B:LYS183 3.6 39.5 1.0
SG B:CYS187 3.7 31.5 1.0
CB B:ALA192 3.8 21.9 1.0
CA B:ALA192 3.8 21.9 1.0
N B:THR188 3.8 27.5 1.0
CB B:GLU191 3.9 23.6 1.0
C B:GLU191 4.0 22.9 1.0
CG B:GLU191 4.2 25.0 1.0
CA B:CYS187 4.3 30.0 1.0
OG1 B:THR181 4.4 39.0 1.0
CE B:LYS183 4.5 39.5 1.0
C B:CYS187 4.5 28.7 1.0
O B:GLU191 4.5 22.9 1.0
C B:THR188 4.5 25.9 1.0
CG2 B:THR181 4.6 39.0 1.0
CA B:GLU191 4.6 23.4 1.0
CB B:CYS187 4.6 30.0 1.0
CB B:THR181 4.7 39.0 1.0
CA B:THR188 4.8 26.7 1.0
OG1 B:THR188 4.9 26.5 1.0

Chlorine binding site 8 out of 10 in 3zhc

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Chlorine binding site 8 out of 10 in the Structure of the Phytase From Citrobacter Braakii at 2.3 Angstrom Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of the Phytase From Citrobacter Braakii at 2.3 Angstrom Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1424

b:25.6
occ:1.00
 NE2 B:GLN226 3.1 15.0 1.0
O B:HOH2052 3.3 26.7 1.0
N B:ARG50 3.3 16.2 1.0
CB B:ARG50 3.5 16.7 1.0
CD B:PRO49 3.6 15.6 1.0
N B:PRO49 3.9 15.5 1.0
CB B:PRO49 3.9 15.6 1.0
CB B:THR48 4.0 14.8 1.0
CA B:ARG50 4.0 16.6 1.0
CG B:PRO49 4.1 15.5 1.0
C B:PRO49 4.2 15.9 1.0
CD B:GLN226 4.2 15.1 1.0
OG1 B:THR48 4.2 14.5 1.0
CA B:PRO49 4.3 15.7 1.0
O B:HOH2051 4.4 36.3 1.0
OE1 B:GLN226 4.5 14.6 1.0
C B:THR48 4.5 15.1 1.0
CA B:THR48 4.8 14.9 1.0
CG B:ARG50 4.9 17.8 1.0
CG2 B:THR48 5.0 14.6 1.0

Chlorine binding site 9 out of 10 in 3zhc

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Chlorine binding site 9 out of 10 in the Structure of the Phytase From Citrobacter Braakii at 2.3 Angstrom Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Structure of the Phytase From Citrobacter Braakii at 2.3 Angstrom Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1425

b:31.9
occ:1.00
 N B:VAL128 3.2 26.5 1.0
CA B:ASN126 3.4 25.2 1.0
C B:ASN126 3.4 25.2 1.0
CB B:VAL128 3.5 27.1 1.0
CG2 B:VAL128 3.5 26.9 1.0
N B:PRO127 3.6 25.3 1.0
NE B:ARG266 3.7 18.9 1.0
CB B:ASN126 3.7 25.4 1.0
CA B:VAL128 3.7 27.1 1.0
CG B:ARG266 3.9 15.4 1.0
O B:ASN126 3.9 25.1 1.0
CD B:PRO127 3.9 25.4 1.0
C B:PRO127 4.2 25.9 1.0
CD B:ARG266 4.2 17.2 1.0
N B:LYS129 4.2 28.4 1.0
OD1 B:ASN126 4.3 28.1 1.0
O B:HOH2118 4.3 41.9 1.0
C B:VAL128 4.3 27.7 1.0
CA B:PRO127 4.5 25.6 1.0
CE B:LYS129 4.5 31.5 1.0
CG B:ASN126 4.5 26.4 1.0
CG B:LYS129 4.6 29.8 1.0
CG B:PRO127 4.7 25.3 1.0
CZ B:ARG266 4.7 19.9 1.0
N B:ASN126 4.7 24.8 1.0
NH2 B:ARG266 4.7 20.4 1.0
CD B:LYS129 4.8 30.8 1.0
CG1 B:VAL128 4.9 27.1 1.0
O B:PHE125 4.9 24.2 1.0
CB B:ARG266 4.9 14.2 1.0
O B:ASP202 5.0 20.1 1.0

Chlorine binding site 10 out of 10 in 3zhc

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Chlorine binding site 10 out of 10 in the Structure of the Phytase From Citrobacter Braakii at 2.3 Angstrom Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Structure of the Phytase From Citrobacter Braakii at 2.3 Angstrom Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1426

b:20.3
occ:1.00
 OG B:SER211 2.9 11.8 1.0
O B:HOH2181 3.0 7.2 1.0
CB B:SER211 3.4 11.7 1.0
CA B:PRO207 3.8 15.3 1.0
CB B:PRO207 3.9 15.3 1.0
CG B:PRO207 4.1 15.5 1.0
N B:PRO207 4.2 15.6 1.0
CB B:SER205 4.3 17.0 1.0
O B:HOH2179 4.4 25.8 1.0
O B:HOH2077 4.5 43.6 1.0
C B:LEU206 4.6 15.9 1.0
O B:HOH2028 4.6 36.3 1.0
CD B:PRO207 4.7 15.6 1.0
OG B:SER205 4.7 17.6 1.0
O B:HOH2183 4.7 29.0 1.0
O B:HOH2029 4.7 13.3 1.0
O B:LEU206 4.7 16.0 1.0
CA B:SER211 4.9 11.7 1.0
N B:LEU206 4.9 16.3 1.0

Reference:

K.S.Wilson, A.Ariza, I.Sanchez-Romero, M.Skjot, J.Vind, L.Demaria, L.K.Skov, J.M.Sanchez-Ruiz. Mechanism of Protein Kinetic Stabilization By Engineered Disulfide Crosslinks Plos One V. 8 70013 2013.
ISSN: ISSN 1932-6203
PubMed: 23936134
DOI: 10.1371/JOURNAL.PONE.0070013
Page generated: Sun Jul 21 08:03:55 2024

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