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Chlorine in PDB 4pf8: Crystal Structure of A Trap Periplasmic Solute Binding Protein From Sulfitobacter Sp. Nas-14.1 (Target Efi-510299) with Bound Beta-D- Galacturonate

Protein crystallography data

The structure of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Sulfitobacter Sp. Nas-14.1 (Target Efi-510299) with Bound Beta-D- Galacturonate, PDB code: 4pf8 was solved by M.W.Vetting, N.F.Al Obaidi, L.L.Morisco, S.R.Wasserman, M.Stead, J.D.Attonito, A.Scott Glenn, S.Chowdhury, B.Evans, B.Hillerich, J.Love, R.D.Seidel, K.L.Whalen, 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) 27.92 / 1.50
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 57.979, 58.014, 62.968, 115.62, 104.69, 94.16
R / Rfree (%) 14.7 / 16.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Sulfitobacter Sp. Nas-14.1 (Target Efi-510299) with Bound Beta-D- Galacturonate (pdb code 4pf8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Sulfitobacter Sp. Nas-14.1 (Target Efi-510299) with Bound Beta-D- Galacturonate, PDB code: 4pf8:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4pf8

Go back to Chlorine Binding Sites List in 4pf8
Chlorine binding site 1 out of 2 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Sulfitobacter Sp. Nas-14.1 (Target Efi-510299) with Bound Beta-D- Galacturonate


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 A Trap Periplasmic Solute Binding Protein From Sulfitobacter Sp. Nas-14.1 (Target Efi-510299) with Bound Beta-D- Galacturonate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:10.5
occ:1.00
H A:GLN71 2.4 8.4 1.0
H A:PHE191 2.5 9.8 1.0
HA A:ALA190 3.0 12.1 1.0
O A:HOH691 3.0 29.7 1.0
O A:HOH595 3.1 14.6 1.0
HD11 A:ILE32 3.2 18.1 1.0
O A:HOH581 3.2 8.7 1.0
HB2 A:SER70 3.2 13.8 1.0
HB1 A:ALA190 3.2 10.8 1.0
N A:GLN71 3.3 7.0 1.0
N A:PHE191 3.3 8.2 1.0
HB3 A:GLN71 3.4 8.1 1.0
HB2 A:GLN71 3.4 8.1 1.0
HD3 A:PRO72 3.5 12.7 1.0
HA A:SER70 3.5 9.4 1.0
HB2 A:PHE191 3.6 9.5 1.0
HD13 A:ILE32 3.6 18.1 1.0
CA A:ALA190 3.7 10.1 1.0
HB3 A:PHE191 3.7 9.5 1.0
CB A:GLN71 3.8 6.7 1.0
CB A:ALA190 3.8 9.0 1.0
CD1 A:ILE32 3.8 15.1 1.0
HD2 A:PRO72 3.9 12.7 1.0
HB2 A:ALA190 3.9 10.8 1.0
CB A:SER70 4.0 11.5 1.0
C A:ALA190 4.0 7.7 1.0
CB A:PHE191 4.0 7.9 1.0
CA A:SER70 4.1 7.8 1.0
CA A:GLN71 4.1 6.8 1.0
C A:SER70 4.1 8.9 1.0
CD A:PRO72 4.2 10.6 1.0
O A:HOH596 4.2 13.5 1.0
HE21 A:GLN71 4.3 10.1 1.0
CA A:PHE191 4.3 9.0 1.0
HD12 A:ILE32 4.3 18.1 1.0
H A:ALA192 4.4 10.6 1.0
HB3 A:SER70 4.5 13.8 1.0
HB3 A:ALA190 4.7 10.8 1.0
HH21 A:ARG168 4.7 8.8 1.0
HA A:GLN71 4.7 8.2 1.0
HG13 A:ILE32 4.8 15.1 1.0
O62 A:GTR402 4.9 8.0 1.0
OD1 A:ASN171 4.9 25.4 1.0
HH22 A:ARG168 4.9 8.8 1.0
OG A:SER70 4.9 16.4 1.0
HZ2 A:TRP30 5.0 7.9 1.0
N A:ALA190 5.0 8.3 1.0
HA A:PHE191 5.0 10.8 1.0
CG1 A:ILE32 5.0 12.6 1.0

Chlorine binding site 2 out of 2 in 4pf8

Go back to Chlorine Binding Sites List in 4pf8
Chlorine binding site 2 out of 2 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Sulfitobacter Sp. Nas-14.1 (Target Efi-510299) with Bound Beta-D- Galacturonate


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 A Trap Periplasmic Solute Binding Protein From Sulfitobacter Sp. Nas-14.1 (Target Efi-510299) with Bound Beta-D- Galacturonate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:10.3
occ:1.00
H B:GLN71 2.4 9.6 1.0
H B:PHE191 2.5 8.2 1.0
HA B:ALA190 3.0 9.7 1.0
O B:HOH603 3.1 14.1 1.0
HD11 B:ILE32 3.1 19.3 1.0
HB2 B:SER70 3.1 12.9 1.0
O B:HOH578 3.2 10.1 1.0
HB1 B:ALA190 3.3 11.5 1.0
N B:GLN71 3.3 8.0 1.0
N B:PHE191 3.3 6.8 1.0
HB2 B:GLN71 3.4 9.3 1.0
HB3 B:GLN71 3.4 9.3 1.0
HD3 B:PRO72 3.5 12.1 1.0
HB2 B:PHE191 3.5 6.9 1.0
HA B:SER70 3.6 12.3 1.0
HD12 B:ILE32 3.6 19.3 1.0
CA B:ALA190 3.7 8.1 1.0
HB3 B:PHE191 3.7 6.9 1.0
CB B:GLN71 3.7 7.8 1.0
CB B:ALA190 3.8 9.6 1.0
CD1 B:ILE32 3.8 16.1 1.0
HD2 B:PRO72 3.9 12.1 1.0
CB B:SER70 4.0 10.8 1.0
C B:ALA190 4.0 9.1 1.0
CB B:PHE191 4.0 5.7 1.0
HB2 B:ALA190 4.0 11.5 1.0
CA B:SER70 4.1 10.3 1.0
CA B:GLN71 4.1 7.1 1.0
C B:SER70 4.2 9.2 1.0
O B:HOH604 4.2 12.5 1.0
CD B:PRO72 4.2 10.1 1.0
HE21 B:GLN71 4.3 10.5 1.0
CA B:PHE191 4.3 5.7 1.0
HD13 B:ILE32 4.4 19.3 1.0
H B:ALA192 4.4 9.6 1.0
HB3 B:SER70 4.5 12.9 1.0
HB3 B:ALA190 4.7 11.5 1.0
HH21 B:ARG168 4.7 10.5 1.0
HA B:GLN71 4.7 8.5 1.0
HG13 B:ILE32 4.8 12.0 1.0
OD1 B:ASN171 4.8 26.4 1.0
OG B:SER70 4.9 16.1 1.0
O61 B:GTR402 4.9 7.2 1.0
HH22 B:ARG168 4.9 10.5 1.0
N B:ALA190 5.0 7.9 1.0
CG1 B:ILE32 5.0 10.0 1.0
HA B:PHE191 5.0 6.9 1.0

Reference:

M.W.Vetting, N.F.Al Obaidi, L.L.Morisco, S.R.Wasserman, M.Stead, J.D.Attonito, A.Scott Glenn, S.Chowdhury, B.Evans, B.Hillerich, J.Love, R.D.Seidel, K.L.Whalen, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi). Crystal Structure of A Trap Periplasmic Solute Binding Protein From Sulfitobacter Sp. Nas-14.1 (Target Efi-510299) with Bound Beta-D-Galacturonate To Be Published.
Page generated: Fri Jul 11 20:24:14 2025

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