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Chlorine in PDB 4ys6: Crystal Structure of An Abc Transporter Solute Binding Protein (IPR025997) From Clostridium Phytofermentans (CPHY_1585, Target Efi- 511156) with Bound Beta-D-Glucose

Protein crystallography data

The structure of Crystal Structure of An Abc Transporter Solute Binding Protein (IPR025997) From Clostridium Phytofermentans (CPHY_1585, Target Efi- 511156) with Bound Beta-D-Glucose, PDB code: 4ys6 was solved by M.W.Vetting, Y.Patskovsky, N.F.Al Obaidi, R.Toro, L.L.Morisco, J.Benach, J.Koss, S.R.Wasserman, J.D.Attonito, A.Scott Glenn, S.Chamala, S.Chowdhury, J.Lafleur, 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) 23.94 / 1.70
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 80.686, 80.686, 170.004, 90.00, 90.00, 120.00
R / Rfree (%) 15 / 18.3

Other elements in 4ys6:

The structure of Crystal Structure of An Abc Transporter Solute Binding Protein (IPR025997) From Clostridium Phytofermentans (CPHY_1585, Target Efi- 511156) with Bound Beta-D-Glucose also contains other interesting chemical elements:

Sodium (Na) 5 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of An Abc Transporter Solute Binding Protein (IPR025997) From Clostridium Phytofermentans (CPHY_1585, Target Efi- 511156) with Bound Beta-D-Glucose (pdb code 4ys6). 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 An Abc Transporter Solute Binding Protein (IPR025997) From Clostridium Phytofermentans (CPHY_1585, Target Efi- 511156) with Bound Beta-D-Glucose, PDB code: 4ys6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4ys6

Go back to Chlorine Binding Sites List in 4ys6
Chlorine binding site 1 out of 2 in the Crystal Structure of An Abc Transporter Solute Binding Protein (IPR025997) From Clostridium Phytofermentans (CPHY_1585, Target Efi- 511156) with Bound Beta-D-Glucose


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 An Abc Transporter Solute Binding Protein (IPR025997) From Clostridium Phytofermentans (CPHY_1585, Target Efi- 511156) with Bound Beta-D-Glucose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:26.2
occ:1.00
H A:LYS25 2.4 19.0 1.0
H A:SER54 2.6 19.5 0.6
H A:SER54 2.6 20.2 0.4
HA A:SER54 2.7 21.3 0.4
HA A:SER54 2.8 20.5 0.6
HG A:SER54 2.8 26.3 0.4
HA A:THR24 2.9 16.3 1.0
HB3 A:TYR52 3.0 18.5 1.0
HG1 A:THR24 3.2 21.1 1.0
N A:LYS25 3.2 15.9 1.0
N A:SER54 3.2 16.3 0.6
N A:SER54 3.2 16.8 0.4
HG3 A:LYS25 3.3 25.2 1.0
HB2 A:LYS25 3.3 19.1 1.0
CA A:SER54 3.3 17.1 0.6
CA A:SER54 3.4 17.8 0.4
OG A:SER54 3.4 21.9 0.4
HB2 A:SER54 3.4 27.1 0.6
HB2 A:TYR52 3.6 18.5 1.0
CB A:TYR52 3.7 15.4 1.0
CA A:THR24 3.7 13.6 1.0
OG1 A:THR24 3.8 17.6 1.0
CB A:SER54 3.9 22.6 0.6
CB A:SER54 3.9 22.4 0.4
C A:THR24 3.9 18.6 1.0
CB A:LYS25 3.9 16.0 1.0
CG A:LYS25 4.0 21.0 1.0
HD2 A:LYS25 4.1 32.2 1.0
CA A:LYS25 4.2 15.1 1.0
OG A:SER54 4.3 29.6 0.6
HB3 A:SER54 4.3 26.9 0.4
C A:TYR52 4.3 16.8 1.0
CB A:THR24 4.3 16.9 1.0
N A:ALA53 4.4 15.6 1.0
C A:ALA53 4.4 16.9 1.0
H A:ALA53 4.4 18.7 1.0
O A:TYR52 4.5 17.1 1.0
HD2 A:TYR52 4.5 19.5 1.0
H A:ASP26 4.5 19.9 1.0
O A:HOH583 4.5 38.7 1.0
CD A:LYS25 4.6 26.8 1.0
HB A:THR24 4.6 20.3 1.0
CG A:TYR52 4.7 16.4 1.0
CA A:TYR52 4.7 14.8 1.0
C A:SER54 4.7 18.7 0.4
C A:SER54 4.7 19.1 0.6
HB2 A:SER54 4.7 26.9 0.4
HB3 A:SER54 4.7 27.1 0.6
HE3 A:LYS25 4.8 52.8 1.0
HG2 A:LYS25 4.8 25.2 1.0
HB3 A:LYS25 4.8 19.1 1.0
HG A:SER54 4.8 35.6 0.6
N A:THR24 4.9 15.6 1.0
HA A:LYS25 4.9 18.1 1.0
H A:ASN55 4.9 20.2 0.6
H A:ASN55 4.9 20.2 0.4
CA A:ALA53 4.9 14.9 1.0
CD2 A:TYR52 4.9 16.3 1.0
O A:PRO23 4.9 15.9 1.0
N A:ASP26 5.0 16.6 1.0

Chlorine binding site 2 out of 2 in 4ys6

Go back to Chlorine Binding Sites List in 4ys6
Chlorine binding site 2 out of 2 in the Crystal Structure of An Abc Transporter Solute Binding Protein (IPR025997) From Clostridium Phytofermentans (CPHY_1585, Target Efi- 511156) with Bound Beta-D-Glucose


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 An Abc Transporter Solute Binding Protein (IPR025997) From Clostridium Phytofermentans (CPHY_1585, Target Efi- 511156) with Bound Beta-D-Glucose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:32.5
occ:1.00
HG A:SER184 2.3 26.4 1.0
HE A:ARG203 2.4 19.0 1.0
HH21 A:ARG203 2.7 21.0 1.0
OG A:SER184 3.0 22.0 1.0
HD11 A:ILE207 3.0 25.6 1.0
NE A:ARG203 3.3 15.9 1.0
HB2 A:SER182 3.3 23.9 1.0
HB2 A:SER184 3.5 23.6 1.0
NH2 A:ARG203 3.5 17.5 1.0
CB A:SER184 3.7 19.7 1.0
HG12 A:ILE207 3.8 22.0 1.0
CZ A:ARG203 3.9 15.8 1.0
CD1 A:ILE207 3.9 21.3 1.0
HG3 A:ARG203 4.0 19.0 1.0
HB3 A:SER184 4.0 23.6 1.0
OG A:SER182 4.0 19.1 1.0
CB A:SER182 4.1 19.9 1.0
HG13 A:ILE207 4.2 22.0 1.0
CG1 A:ILE207 4.2 18.3 1.0
HH22 A:ARG203 4.2 21.0 1.0
HD13 A:ILE207 4.2 25.6 1.0
CD A:ARG203 4.3 16.4 1.0
HD2 A:ARG203 4.4 19.7 1.0
HB3 A:SER182 4.5 23.9 1.0
CG A:ARG203 4.5 15.8 1.0
HD12 A:ILE207 4.6 25.6 1.0
HG2 A:ARG203 4.6 19.0 1.0
O A:HOH691 4.7 42.9 1.0
O A:HOH563 4.7 40.4 1.0
H A:SER184 4.8 20.0 1.0
HG A:SER182 4.8 22.9 1.0
O A:LYS189 4.9 17.8 1.0
O A:SER182 5.0 23.9 1.0

Reference:

M.W.Vetting, Y.Patskovsky, N.F.Al Obaidi, R.Toro, L.L.Morisco, J.Benach, J.Koss, S.R.Wasserman, J.D.Attonito, A.Scott Glenn, S.Chamala, S.Chowdhury, J.Lafleur, J.Love, R.D.Seidel, K.L.Whalen, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi). Crystal Structure of An Abc Transporter Solute Binding Protein (IPR025997) From Clostridium Phytofermentans (CPHY_1585, Target Efi-511156) with Bound Beta-D-Glucose To Be Published.
Page generated: Sat Dec 12 11:26:16 2020

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