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Chlorine in PDB 4gyf: Crystal Structure of Histidinol Phosphate Phosphatase (Hisk) From Lactococcus Lactis Subsp. Lactis IL1403 Complexed with Zn, L- Histidinol and Phosphate

Enzymatic activity of Crystal Structure of Histidinol Phosphate Phosphatase (Hisk) From Lactococcus Lactis Subsp. Lactis IL1403 Complexed with Zn, L- Histidinol and Phosphate

All present enzymatic activity of Crystal Structure of Histidinol Phosphate Phosphatase (Hisk) From Lactococcus Lactis Subsp. Lactis IL1403 Complexed with Zn, L- Histidinol and Phosphate:
3.1.3.15;

Protein crystallography data

The structure of Crystal Structure of Histidinol Phosphate Phosphatase (Hisk) From Lactococcus Lactis Subsp. Lactis IL1403 Complexed with Zn, L- Histidinol and Phosphate, PDB code: 4gyf was solved by A.A.Fedorov, E.V.Fedorov, S.Ghodge, F.M.Raushel, S.C.Almo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.83 / 1.65
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 85.661, 86.679, 45.080, 90.00, 90.00, 90.00
R / Rfree (%) 16 / 18.6

Other elements in 4gyf:

The structure of Crystal Structure of Histidinol Phosphate Phosphatase (Hisk) From Lactococcus Lactis Subsp. Lactis IL1403 Complexed with Zn, L- Histidinol and Phosphate also contains other interesting chemical elements:

Zinc (Zn) 4 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Histidinol Phosphate Phosphatase (Hisk) From Lactococcus Lactis Subsp. Lactis IL1403 Complexed with Zn, L- Histidinol and Phosphate (pdb code 4gyf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Histidinol Phosphate Phosphatase (Hisk) From Lactococcus Lactis Subsp. Lactis IL1403 Complexed with Zn, L- Histidinol and Phosphate, PDB code: 4gyf:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4gyf

Go back to Chlorine Binding Sites List in 4gyf
Chlorine binding site 1 out of 6 in the Crystal Structure of Histidinol Phosphate Phosphatase (Hisk) From Lactococcus Lactis Subsp. Lactis IL1403 Complexed with Zn, L- Histidinol and Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Histidinol Phosphate Phosphatase (Hisk) From Lactococcus Lactis Subsp. Lactis IL1403 Complexed with Zn, L- Histidinol and Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:14.1
occ:1.00
 ZN A:ZN304 2.2 8.9 0.9
O A:HOH414 3.2 12.7 1.0
NE2 A:HSO314 3.4 11.4 1.0
NE2 A:HIS32 3.5 12.9 1.0
NE2 A:HIS240 3.5 10.8 1.0
CD2 A:HIS240 3.7 9.6 1.0
CG2 A:ILE239 3.8 12.6 1.0
CD2 A:HIS32 3.8 10.5 1.0
CD A:ARG243 3.8 10.4 1.0
CD2 A:LEU34 4.0 12.6 1.0
NE A:ARG243 4.1 12.5 1.0
CD2 A:HSO314 4.1 13.9 1.0
CE1 A:HSO314 4.2 10.6 1.0
CZ A:ARG243 4.4 12.4 1.0
CE3 A:TRP236 4.4 12.1 1.0
CZ3 A:TRP236 4.5 14.3 1.0
NH1 A:ARG243 4.5 12.3 1.0
CG A:LYS5 4.6 13.4 1.0
CB A:LYS5 4.7 11.7 1.0
CE1 A:HIS32 4.7 9.1 1.0
CE1 A:HIS240 4.8 10.9 1.0
CB A:ILE239 4.9 10.2 1.0
CA A:LYS5 5.0 11.3 1.0

Chlorine binding site 2 out of 6 in 4gyf

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Chlorine binding site 2 out of 6 in the Crystal Structure of Histidinol Phosphate Phosphatase (Hisk) From Lactococcus Lactis Subsp. Lactis IL1403 Complexed with Zn, L- Histidinol and Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Histidinol Phosphate Phosphatase (Hisk) From Lactococcus Lactis Subsp. Lactis IL1403 Complexed with Zn, L- Histidinol and Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:18.9
occ:1.00
 N A:TYR46 3.2 12.1 1.0
O A:HOH617 3.3 35.0 1.0
NH2 A:ARG43 3.3 14.7 1.0
NH1 A:ARG43 3.4 12.1 1.0
O A:HOH419 3.7 12.9 1.0
CA A:PHE45 3.8 10.0 1.0
CZ A:ARG43 3.8 15.9 1.0
C A:PHE45 4.0 12.2 1.0
CD1 A:TYR46 4.0 19.0 1.0
CD2 A:PHE45 4.1 17.1 1.0
O A:ASP44 4.2 10.1 1.0
CE1 A:TYR46 4.2 12.8 1.0
CA A:TYR46 4.2 14.1 1.0
OD1 A:ASP51 4.4 36.9 1.0
CB A:PHE45 4.5 8.9 1.0
CG A:PHE45 4.5 11.8 1.0
CG A:TYR46 4.5 14.2 1.0
CZ A:TYR46 4.8 10.3 1.0
CE2 A:PHE45 4.8 15.6 1.0
N A:PHE45 4.8 10.6 1.0
C A:ASP44 4.9 9.5 1.0

Chlorine binding site 3 out of 6 in 4gyf

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Chlorine binding site 3 out of 6 in the Crystal Structure of Histidinol Phosphate Phosphatase (Hisk) From Lactococcus Lactis Subsp. Lactis IL1403 Complexed with Zn, L- Histidinol and Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Histidinol Phosphate Phosphatase (Hisk) From Lactococcus Lactis Subsp. Lactis IL1403 Complexed with Zn, L- Histidinol and Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl308

b:17.2
occ:1.00
 O A:HOH423 2.9 13.9 1.0
N A:ASP235 3.2 12.0 1.0
O A:HOH496 3.3 19.1 1.0
CA A:ARG234 3.6 14.4 1.0
O A:HOH469 3.7 21.6 1.0
CB A:THR227 3.8 14.5 1.0
CB A:SER229 3.8 11.5 0.2
CB A:SER229 3.9 11.7 0.8
O A:HOH536 3.9 28.8 1.0
C A:ARG234 4.0 14.1 1.0
CG A:ARG234 4.0 14.9 1.0
CB A:ASP235 4.0 13.6 1.0
OG A:SER229 4.0 11.2 0.8
CB A:ARG234 4.0 14.3 1.0
CG2 A:THR227 4.1 14.7 1.0
CA A:ASP235 4.2 13.4 1.0
O A:LYS233 4.2 17.0 1.0
OG A:SER229 4.3 11.9 0.2
O A:HOH546 4.4 26.4 1.0
O A:THR227 4.4 10.0 1.0
OG1 A:THR227 4.5 11.1 1.0
CA A:SER229 4.7 8.2 0.2
CA A:SER229 4.7 8.1 0.8
CA A:THR227 4.7 14.2 1.0
O A:ASP235 4.8 13.1 1.0
N A:ARG234 4.8 12.3 1.0
C A:ASP235 4.9 14.4 1.0
C A:THR227 4.9 10.3 1.0
N A:SER229 5.0 10.2 0.2
C A:LYS233 5.0 16.4 1.0
N A:SER229 5.0 10.2 0.8

Chlorine binding site 4 out of 6 in 4gyf

Go back to Chlorine Binding Sites List in 4gyf
Chlorine binding site 4 out of 6 in the Crystal Structure of Histidinol Phosphate Phosphatase (Hisk) From Lactococcus Lactis Subsp. Lactis IL1403 Complexed with Zn, L- Histidinol and Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Histidinol Phosphate Phosphatase (Hisk) From Lactococcus Lactis Subsp. Lactis IL1403 Complexed with Zn, L- Histidinol and Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl309

b:17.4
occ:1.00
 O A:HOH570 3.0 36.4 1.0
N A:GLU147 3.2 11.8 1.0
ND2 A:ASN93 3.4 14.7 1.0
CD1 A:PHE146 3.6 14.8 1.0
CE A:LYS89 3.7 28.5 1.0
N A:ASN148 3.8 9.3 1.0
OD1 A:ASN93 4.0 16.6 1.0
CE1 A:PHE146 4.0 15.2 1.0
CA A:GLU147 4.0 14.4 1.0
CG A:GLU147 4.0 28.1 1.0
CB A:GLU147 4.0 17.9 1.0
CA A:PHE146 4.1 13.2 1.0
CG A:ASN93 4.1 13.4 1.0
C A:PHE146 4.1 11.4 1.0
CB A:ASN148 4.2 9.0 1.0
C A:GLU147 4.3 9.1 1.0
NZ A:LYS89 4.3 28.2 1.0
CG A:PHE146 4.4 9.3 1.0
CA A:ASN148 4.6 8.5 1.0
CD A:LYS89 4.7 17.9 1.0
CB A:PHE146 4.7 11.4 1.0
O A:ASN145 4.8 17.6 1.0
CG A:LYS89 4.9 14.1 1.0
CZ A:PHE146 4.9 11.2 1.0

Chlorine binding site 5 out of 6 in 4gyf

Go back to Chlorine Binding Sites List in 4gyf
Chlorine binding site 5 out of 6 in the Crystal Structure of Histidinol Phosphate Phosphatase (Hisk) From Lactococcus Lactis Subsp. Lactis IL1403 Complexed with Zn, L- Histidinol and Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Histidinol Phosphate Phosphatase (Hisk) From Lactococcus Lactis Subsp. Lactis IL1403 Complexed with Zn, L- Histidinol and Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl310

b:29.8
occ:1.00
 N A:HIS230 3.0 9.1 1.0
CB A:HIS230 3.7 8.2 1.0
CA A:HIS230 3.8 6.6 1.0
N A:ILE231 3.8 8.7 1.0
C A:SER229 4.0 9.1 0.2
CA A:SER229 4.0 8.2 0.2
C A:SER229 4.0 9.1 0.8
CA A:SER229 4.0 8.1 0.8
OG A:SER229 4.0 11.2 0.8
CG1 A:ILE231 4.1 13.1 1.0
C A:HIS230 4.1 7.8 1.0
ND1 A:HIS230 4.3 8.4 1.0
O A:HOH621 4.4 30.7 1.0
O A:HOH423 4.4 13.9 1.0
CG A:HIS230 4.4 7.5 1.0
CB A:SER229 4.5 11.5 0.2
O A:ASP228 4.6 10.1 1.0
O A:HOH469 4.6 21.6 1.0
CG2 A:ILE231 4.6 12.2 1.0
CB A:SER229 4.7 11.7 0.8
CD1 A:ILE231 4.7 15.1 1.0
CB A:ILE231 4.7 10.5 1.0
CA A:ILE231 4.9 10.4 1.0

Chlorine binding site 6 out of 6 in 4gyf

Go back to Chlorine Binding Sites List in 4gyf
Chlorine binding site 6 out of 6 in the Crystal Structure of Histidinol Phosphate Phosphatase (Hisk) From Lactococcus Lactis Subsp. Lactis IL1403 Complexed with Zn, L- Histidinol and Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Histidinol Phosphate Phosphatase (Hisk) From Lactococcus Lactis Subsp. Lactis IL1403 Complexed with Zn, L- Histidinol and Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl311

b:19.6
occ:1.00
 O A:HOH611 2.9 32.9 1.0
N A:LYS4 3.1 12.3 1.0
N A:LEU254 3.2 13.7 1.0
CA A:GLU253 3.5 14.3 1.0
CB A:LYS4 3.8 15.8 1.0
C A:GLU253 3.9 13.6 1.0
CA A:LEU3 3.9 16.0 1.0
CB A:GLU253 3.9 20.1 1.0
C A:LEU3 4.0 12.6 1.0
CA A:LYS4 4.0 13.4 1.0
O A:LEU254 4.1 18.1 1.0
CA A:LEU254 4.2 12.6 1.0
CB A:LEU254 4.3 9.3 1.0
O A:SER2 4.3 31.5 1.0
O A:HIS252 4.5 18.6 1.0
O A:HOH593 4.6 34.7 1.0
CB A:LEU3 4.6 12.1 1.0
C A:LEU254 4.6 16.4 1.0
CD2 A:LEU3 4.6 16.8 1.0
CG A:LEU254 4.7 13.1 1.0
N A:GLU253 4.7 17.8 1.0
N A:LEU3 5.0 20.2 1.0

Reference:

A.A.Fedorov, E.V.Fedorov, S.Ghodge, F.M.Raushel, S.C.Almo. Crystal Structure of Histidinol Phosphate Phosphatase (Hisk) From Lactococcus Lactis Subsp. Lactis IL1403 Complexed with Zn, L-Histidinol and Phosphate To Be Published.
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