Atomistry » Chlorine » PDB 4j93-4jk9 » 4jdp
Atomistry »
  Chlorine »
    PDB 4j93-4jk9 »
      4jdp »

Chlorine in PDB 4jdp: Crystal Structure of Probable P-Nitrophenyl Phosphatase (PHO2) (Target Efi-501307) From Archaeoglobus Fulgidus Dsm 4304 with Magnesium Bound

Protein crystallography data

The structure of Crystal Structure of Probable P-Nitrophenyl Phosphatase (PHO2) (Target Efi-501307) From Archaeoglobus Fulgidus Dsm 4304 with Magnesium Bound, PDB code: 4jdp was solved by Y.Patskovsky, R.Toro, R.Bhosle, B.Hillerich, R.D.Seidel, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, N.Al Obaidi, M.Stead, J.Love, K.N.Allen, D.Dunaway-Mariano, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.77 / 1.76
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 59.559, 64.733, 135.062, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 20.6

Other elements in 4jdp:

The structure of Crystal Structure of Probable P-Nitrophenyl Phosphatase (PHO2) (Target Efi-501307) From Archaeoglobus Fulgidus Dsm 4304 with Magnesium Bound also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Probable P-Nitrophenyl Phosphatase (PHO2) (Target Efi-501307) From Archaeoglobus Fulgidus Dsm 4304 with Magnesium Bound (pdb code 4jdp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of Probable P-Nitrophenyl Phosphatase (PHO2) (Target Efi-501307) From Archaeoglobus Fulgidus Dsm 4304 with Magnesium Bound, PDB code: 4jdp:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 4jdp

Go back to Chlorine Binding Sites List in 4jdp
Chlorine binding site 1 out of 8 in the Crystal Structure of Probable P-Nitrophenyl Phosphatase (PHO2) (Target Efi-501307) From Archaeoglobus Fulgidus Dsm 4304 with Magnesium Bound


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 Probable P-Nitrophenyl Phosphatase (PHO2) (Target Efi-501307) From Archaeoglobus Fulgidus Dsm 4304 with Magnesium Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:31.1
occ:1.00
 OG A:SER44 3.0 23.6 1.0
O A:HOH429 3.0 37.4 1.0
O A:HOH503 3.1 37.4 1.0
O A:HOH412 3.1 25.9 1.0
ND2 A:ASN46 3.6 29.7 1.0
CB A:SER44 3.8 23.0 1.0
CB A:ASN46 3.9 26.5 1.0
CD1 A:LEU54 4.0 30.0 1.0
CD2 A:LEU54 4.2 28.8 1.0
CG A:ASN46 4.3 29.7 1.0
CB A:ILE12 4.3 22.8 1.0
CB A:ASP13 4.5 28.4 1.0
CD1 A:ILE12 4.6 24.6 1.0
CG2 A:ILE12 4.6 24.6 1.0
N A:ASP13 4.7 23.3 1.0
O A:HOH480 4.8 37.7 1.0
NH1 A:ARG57 4.8 30.0 1.0
CG A:LEU54 4.8 26.6 1.0
O A:HOH404 4.8 25.6 1.0
CG1 A:ILE12 4.9 23.2 1.0
CA A:ASN46 4.9 25.6 1.0
N A:ASN46 5.0 23.0 1.0

Chlorine binding site 2 out of 8 in 4jdp

Go back to Chlorine Binding Sites List in 4jdp
Chlorine binding site 2 out of 8 in the Crystal Structure of Probable P-Nitrophenyl Phosphatase (PHO2) (Target Efi-501307) From Archaeoglobus Fulgidus Dsm 4304 with Magnesium Bound


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 Probable P-Nitrophenyl Phosphatase (PHO2) (Target Efi-501307) From Archaeoglobus Fulgidus Dsm 4304 with Magnesium Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:46.2
occ:1.00
 ND2 A:ASN46 3.2 29.7 1.0
O A:HOH588 3.2 51.3 1.0
NH1 A:ARG57 3.4 30.0 1.0
NE A:ARG49 3.4 44.6 0.5
NH2 A:ARG57 3.7 33.4 1.0
NH1 A:ARG49 3.7 47.9 0.5
CG A:ARG49 3.8 34.9 0.5
CG A:ARG49 3.8 31.4 0.5
CZ A:ARG49 3.9 48.1 0.5
CZ A:ARG57 4.0 30.1 1.0
CD A:ARG49 4.2 40.4 0.5
NE A:ARG49 4.3 39.6 0.5
CG A:ASN46 4.3 29.7 1.0
OD1 A:ASN46 4.5 26.5 1.0
CD A:ARG49 4.6 35.2 0.5
O A:HOH503 4.9 37.4 1.0
OG1 A:THR48 5.0 30.1 1.0
CB A:ARG49 5.0 29.2 0.5
NH2 A:ARG49 5.0 48.5 0.5

Chlorine binding site 3 out of 8 in 4jdp

Go back to Chlorine Binding Sites List in 4jdp
Chlorine binding site 3 out of 8 in the Crystal Structure of Probable P-Nitrophenyl Phosphatase (PHO2) (Target Efi-501307) From Archaeoglobus Fulgidus Dsm 4304 with Magnesium Bound


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 Probable P-Nitrophenyl Phosphatase (PHO2) (Target Efi-501307) From Archaeoglobus Fulgidus Dsm 4304 with Magnesium Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:33.3
occ:1.00
 O A:HOH491 3.0 44.2 1.0
ND2 A:ASN148 3.1 23.1 1.0
N A:THR163 3.3 21.3 1.0
O A:HOH450 3.4 37.7 1.0
CA A:GLY162 3.5 23.6 1.0
OG1 A:THR163 3.6 24.8 1.0
C A:GLY162 3.9 23.4 1.0
CB A:ASP150 4.0 23.9 1.0
CG A:ASN148 4.1 22.7 1.0
CB A:THR163 4.2 22.0 1.0
CA A:THR163 4.3 21.3 1.0
OD1 A:ASN148 4.3 23.4 1.0
O A:ASP150 4.4 24.6 1.0
OD1 A:ASP150 4.6 25.4 1.0
CG A:ASP150 4.6 24.1 1.0
CB A:SER122 4.6 22.0 0.5
CB A:SER122 4.6 21.5 0.5
CD1 A:PHE153 4.7 54.0 1.0
OG A:SER122 4.7 22.5 0.5
CB A:PHE153 4.7 46.9 1.0
O A:HOH577 4.8 47.9 1.0
OG A:SER122 4.8 24.5 0.5
N A:GLY162 4.9 21.8 1.0
OG A:SER47 4.9 32.1 1.0
CA A:ASP150 5.0 24.7 1.0

Chlorine binding site 4 out of 8 in 4jdp

Go back to Chlorine Binding Sites List in 4jdp
Chlorine binding site 4 out of 8 in the Crystal Structure of Probable P-Nitrophenyl Phosphatase (PHO2) (Target Efi-501307) From Archaeoglobus Fulgidus Dsm 4304 with Magnesium Bound


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 Probable P-Nitrophenyl Phosphatase (PHO2) (Target Efi-501307) From Archaeoglobus Fulgidus Dsm 4304 with Magnesium Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:50.7
occ:1.00
 O A:HOH568 2.9 43.0 1.0
N A:GLU64 2.9 28.5 1.0
O A:HOH593 3.2 45.3 1.0
CD A:LYS34 3.6 42.5 1.0
CA A:LEU63 3.6 27.6 1.0
O A:GLU64 3.7 29.2 1.0
C A:LEU63 3.8 27.1 1.0
CB A:GLU64 3.8 36.9 1.0
CA A:GLU64 3.8 30.1 1.0
CD2 A:LEU63 4.0 29.3 1.0
CB A:LEU63 4.0 27.0 1.0
CG A:LYS31 4.0 36.0 1.0
C A:GLU64 4.2 30.2 1.0
CE A:LYS34 4.3 43.7 1.0
CA A:LYS31 4.5 28.5 1.0
O A:GLY62 4.6 28.7 1.0
CG A:LEU63 4.7 28.4 1.0
CB A:LYS34 4.7 33.8 1.0
CG A:LYS34 4.7 40.5 1.0
CB A:LYS31 4.8 32.1 1.0
N A:LEU63 4.9 26.2 1.0
CD A:LYS31 4.9 39.6 1.0
O A:LEU63 5.0 30.2 1.0

Chlorine binding site 5 out of 8 in 4jdp

Go back to Chlorine Binding Sites List in 4jdp
Chlorine binding site 5 out of 8 in the Crystal Structure of Probable P-Nitrophenyl Phosphatase (PHO2) (Target Efi-501307) From Archaeoglobus Fulgidus Dsm 4304 with Magnesium Bound


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 Probable P-Nitrophenyl Phosphatase (PHO2) (Target Efi-501307) From Archaeoglobus Fulgidus Dsm 4304 with Magnesium Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:30.0
occ:1.00
 OG B:SER44 3.0 22.9 1.0
O B:HOH423 3.1 35.4 1.0
O B:HOH491 3.1 31.6 1.0
O B:HOH411 3.2 24.7 1.0
ND2 B:ASN46 3.6 33.4 1.0
CB B:SER44 3.8 23.4 1.0
CB B:ASN46 3.8 28.4 1.0
CD1 B:LEU54 4.0 36.2 1.0
CB B:ILE12 4.2 24.7 1.0
CG B:ASN46 4.2 33.6 1.0
CD2 B:LEU54 4.4 36.7 1.0
CD1 B:ILE12 4.4 25.7 1.0
CG2 B:ILE12 4.5 26.5 1.0
CB B:ASP13 4.6 27.5 1.0
N B:ASP13 4.7 22.8 1.0
NH1 B:ARG57 4.7 34.5 1.0
O B:HOH468 4.7 35.0 1.0
O B:HOH406 4.8 26.7 1.0
CG1 B:ILE12 4.8 24.2 1.0
CG B:LEU54 4.8 34.0 1.0
N B:ASN46 4.9 25.1 1.0
CA B:ASN46 4.9 25.7 1.0
CA B:SER44 5.0 22.6 1.0

Chlorine binding site 6 out of 8 in 4jdp

Go back to Chlorine Binding Sites List in 4jdp
Chlorine binding site 6 out of 8 in the Crystal Structure of Probable P-Nitrophenyl Phosphatase (PHO2) (Target Efi-501307) From Archaeoglobus Fulgidus Dsm 4304 with Magnesium Bound


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 Probable P-Nitrophenyl Phosphatase (PHO2) (Target Efi-501307) From Archaeoglobus Fulgidus Dsm 4304 with Magnesium Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl303

b:46.4
occ:1.00
 O B:HOH530 3.1 52.0 1.0
ND2 B:ASN46 3.2 33.4 1.0
NH1 B:ARG57 3.3 34.5 1.0
NH2 B:ARG57 3.4 38.2 1.0
O B:HOH551 3.5 62.0 1.0
NE B:ARG49 3.6 45.6 0.5
CZ B:ARG49 3.6 45.3 0.5
CG B:ARG49 3.7 36.2 0.5
CG B:ARG49 3.7 36.0 0.5
NH1 B:ARG49 3.8 47.2 0.5
CZ B:ARG57 3.8 36.7 1.0
NE B:ARG49 3.8 42.8 0.5
NH2 B:ARG49 4.0 44.9 0.5
CD B:ARG49 4.2 40.8 0.5
CG B:ASN46 4.3 33.6 1.0
CZ B:ARG49 4.3 48.4 0.5
CD B:ARG49 4.4 39.6 0.5
NH2 B:ARG49 4.4 50.7 0.5
OD1 B:ASN46 4.5 31.9 1.0
O B:HOH501 4.6 59.7 1.0
O B:HOH491 4.8 31.6 1.0
OG1 B:THR48 4.8 28.1 1.0

Chlorine binding site 7 out of 8 in 4jdp

Go back to Chlorine Binding Sites List in 4jdp
Chlorine binding site 7 out of 8 in the Crystal Structure of Probable P-Nitrophenyl Phosphatase (PHO2) (Target Efi-501307) From Archaeoglobus Fulgidus Dsm 4304 with Magnesium Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Probable P-Nitrophenyl Phosphatase (PHO2) (Target Efi-501307) From Archaeoglobus Fulgidus Dsm 4304 with Magnesium Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:26.5
occ:1.00
 O B:HOH447 3.2 33.0 1.0
O B:HOH427 3.2 28.4 1.0
ND2 B:ASN148 3.2 22.8 1.0
N B:THR163 3.4 21.6 1.0
CA B:GLY162 3.5 21.2 1.0
OG1 B:THR163 3.7 21.2 1.0
O B:HOH492 3.7 38.1 1.0
C B:GLY162 3.9 20.5 1.0
CB B:ASP150 4.1 22.1 1.0
CD2 B:PHE153 4.2 35.4 1.0
CB B:PHE153 4.3 28.6 1.0
CG B:ASN148 4.3 20.5 1.0
CB B:THR163 4.4 22.1 1.0
CA B:THR163 4.5 21.3 1.0
O B:ASP150 4.5 23.7 1.0
OD1 B:ASN148 4.6 22.0 1.0
CB B:SER122 4.6 24.2 1.0
CG B:ASP150 4.7 21.1 1.0
CG B:PHE153 4.7 33.2 1.0
OD1 B:ASP150 4.7 21.5 1.0
N B:GLY162 4.7 20.8 1.0
OG B:SER122 4.8 29.1 1.0
OG B:SER47 5.0 25.9 1.0
O B:PRO161 5.0 24.8 1.0

Chlorine binding site 8 out of 8 in 4jdp

Go back to Chlorine Binding Sites List in 4jdp
Chlorine binding site 8 out of 8 in the Crystal Structure of Probable P-Nitrophenyl Phosphatase (PHO2) (Target Efi-501307) From Archaeoglobus Fulgidus Dsm 4304 with Magnesium Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Probable P-Nitrophenyl Phosphatase (PHO2) (Target Efi-501307) From Archaeoglobus Fulgidus Dsm 4304 with Magnesium Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl305

b:50.5
occ:1.00
 O B:HOH586 2.8 43.0 1.0
O B:HOH591 2.9 46.5 1.0
N B:SER50 3.1 28.9 1.0
CG1 B:ILE53 3.4 36.3 1.0
CA B:GLY97 3.4 29.8 1.0
OG B:SER50 3.5 29.9 1.0
CA B:ARG49 3.7 31.7 0.5
CA B:ARG49 3.7 31.6 0.5
CB B:SER50 3.7 29.8 1.0
C B:ARG49 3.9 30.1 1.0
O B:THR48 3.9 32.5 1.0
CB B:ILE53 4.0 31.7 1.0
CD B:ARG49 4.0 39.6 0.5
O B:HOH558 4.0 41.7 1.0
CA B:SER50 4.0 29.1 1.0
N B:GLY97 4.1 27.7 1.0
CD B:ARG49 4.2 40.8 0.5
O B:HOH417 4.2 32.5 1.0
OE2 B:GLU100 4.3 42.8 1.0
CB B:ARG49 4.4 34.3 0.5
CB B:ARG49 4.4 34.1 0.5
CG2 B:ILE53 4.5 32.2 1.0
CD1 B:ILE53 4.6 37.1 1.0
N B:ARG49 4.7 29.4 1.0
NH2 B:ARG52 4.7 43.3 1.0
C B:GLY97 4.7 25.4 1.0
C B:THR48 4.7 31.9 1.0
CG B:ARG49 4.9 36.0 0.5
O B:GLY97 5.0 27.2 1.0
CG B:ARG49 5.0 36.2 0.5

Reference:

Y.Patskovsky, R.Toro, R.Bhosle, B.Hillerich, R.D.Seidel, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, N.F.Al Obaidi, M.Stead, J.Love, K.N.Allen, D.Dunaway-Mariano, J.A.Gerlt, S.C.Almo. Crystal Structure of Probable P-Nitrophenyl Phosphatase From Archaeoglobus Fulgidus. To Be Published.
Page generated: Fri Jul 11 17:16:48 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy