Atomistry » Chlorine » PDB 4x90-4xfz » 4xf5
Atomistry »
  Chlorine »
    PDB 4x90-4xfz »
      4xf5 »

Chlorine in PDB 4xf5: Crystal Structure of A Trap Periplasmic Solute Binding Protein From Chromohalobacter Salexigens Dsm 3043 (CSAL_0678), Target Efi-501078, with Bound (S)-(+)-2-Amino-1-Propanol.

Protein crystallography data

The structure of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Chromohalobacter Salexigens Dsm 3043 (CSAL_0678), Target Efi-501078, with Bound (S)-(+)-2-Amino-1-Propanol., PDB code: 4xf5 was solved by M.W.Vetting, N.F.Al Obaidi, R.Toro, L.L.Morisco, J.Benach, 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) 27.56 / 1.45
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 122.605, 51.154, 111.943, 90.00, 115.96, 90.00
R / Rfree (%) 16.4 / 19.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Chromohalobacter Salexigens Dsm 3043 (CSAL_0678), Target Efi-501078, with Bound (S)-(+)-2-Amino-1-Propanol. (pdb code 4xf5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Chromohalobacter Salexigens Dsm 3043 (CSAL_0678), Target Efi-501078, with Bound (S)-(+)-2-Amino-1-Propanol., PDB code: 4xf5:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4xf5

Go back to Chlorine Binding Sites List in 4xf5
Chlorine binding site 1 out of 4 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Chromohalobacter Salexigens Dsm 3043 (CSAL_0678), Target Efi-501078, with Bound (S)-(+)-2-Amino-1-Propanol.


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 Chromohalobacter Salexigens Dsm 3043 (CSAL_0678), Target Efi-501078, with Bound (S)-(+)-2-Amino-1-Propanol. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:18.0
occ:1.00
H A:ALA54 2.5 19.0 1.0
HG A:SER271 2.8 18.3 1.0
HD2 A:PRO53 2.8 21.4 1.0
HB2 A:PRO53 3.0 24.2 1.0
O A:HOH563 3.0 14.5 1.0
OG A:SER271 3.1 15.2 1.0
HA A:ALA51 3.1 22.5 1.0
HA A:SER271 3.1 13.9 1.0
HB2 A:ALA54 3.1 20.1 1.0
O A:HOH592 3.2 19.9 1.0
HB3 A:ALA54 3.3 20.1 1.0
N A:ALA54 3.3 15.8 1.0
HB2 A:SER271 3.5 18.9 1.0
CA A:ALA51 3.6 18.8 1.0
N A:ALA51 3.6 16.7 1.0
C A:ALA51 3.6 16.9 1.0
O A:ALA51 3.6 17.3 1.0
CB A:ALA54 3.6 16.7 1.0
C A:VAL50 3.6 15.1 1.0
CD A:PRO53 3.6 17.9 1.0
O A:VAL50 3.6 14.7 1.0
CB A:SER271 3.6 15.8 1.0
CB A:PRO53 3.8 20.1 1.0
CA A:SER271 3.8 11.6 1.0
HG2 A:PRO53 3.9 23.0 1.0
N A:PRO53 3.9 18.6 1.0
H A:ALA51 4.0 20.1 1.0
CG A:PRO53 4.0 19.1 1.0
CA A:ALA54 4.1 13.3 1.0
HD1 A:HIS274 4.1 18.2 1.0
O A:HIS49 4.2 21.0 1.0
HA A:VAL50 4.2 18.7 1.0
C A:PRO53 4.2 20.7 1.0
CA A:PRO53 4.2 19.0 1.0
N A:LYS52 4.3 18.3 1.0
HD3 A:PRO53 4.4 21.4 1.0
CA A:VAL50 4.4 15.6 1.0
HB1 A:ALA54 4.5 20.1 1.0
HB3 A:HIS274 4.5 16.3 1.0
HB3 A:SER271 4.6 18.9 1.0
O A:SER271 4.6 12.1 1.0
HB3 A:PRO53 4.6 24.2 1.0
HA A:ALA54 4.6 15.9 1.0
ND1 A:HIS274 4.6 15.2 1.0
HE A:ARG275 4.7 14.9 1.0
H A:LYS52 4.7 21.9 1.0
C A:LYS52 4.7 18.1 1.0
H A:ILE55 4.7 22.8 1.0
C A:SER271 4.7 11.8 1.0
HH11 A:ARG275 4.7 16.2 1.0
C A:HIS49 4.7 18.6 1.0
N A:VAL50 4.8 15.7 1.0
OE1 A:GLN270 4.9 22.6 1.0
N A:SER271 4.9 13.8 1.0

Chlorine binding site 2 out of 4 in 4xf5

Go back to Chlorine Binding Sites List in 4xf5
Chlorine binding site 2 out of 4 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Chromohalobacter Salexigens Dsm 3043 (CSAL_0678), Target Efi-501078, with Bound (S)-(+)-2-Amino-1-Propanol.


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 Chromohalobacter Salexigens Dsm 3043 (CSAL_0678), Target Efi-501078, with Bound (S)-(+)-2-Amino-1-Propanol. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:19.1
occ:1.00
HD3 A:LYS134 2.3 33.3 1.0
H A:ALA151 2.4 15.9 1.0
HE2 A:LYS134 2.9 37.8 1.0
HA A:SER150 2.9 15.9 1.0
HB3 A:PHE128 3.1 14.5 1.0
HE1 A:HIS148 3.1 18.3 1.0
CD A:LYS134 3.2 27.7 1.0
N A:ALA151 3.2 13.2 1.0
O A:HOH603 3.3 18.7 1.0
O A:HOH632 3.3 26.8 1.0
HB3 A:ALA151 3.3 20.5 1.0
CE A:LYS134 3.5 31.5 1.0
HD2 A:PHE128 3.5 15.5 1.0
HB2 A:LYS134 3.6 22.9 1.0
HB2 A:SER150 3.7 17.8 1.0
HD2 A:LYS134 3.7 33.3 1.0
CA A:SER150 3.7 13.3 1.0
CB A:PHE128 3.9 12.1 1.0
CE1 A:HIS148 3.9 15.2 1.0
CB A:ALA151 4.0 17.1 1.0
HB2 A:PHE128 4.0 14.5 1.0
HB2 A:ALA151 4.0 20.5 1.0
C A:SER150 4.0 12.9 1.0
CD2 A:PHE128 4.0 12.9 1.0
HE3 A:LYS134 4.0 37.8 1.0
CA A:ALA151 4.1 13.9 1.0
CB A:SER150 4.1 14.9 1.0
HD22 A:ASN129 4.2 17.3 1.0
CG A:LYS134 4.2 25.2 1.0
CG A:PHE128 4.2 11.8 1.0
HG2 A:LYS134 4.2 30.2 1.0
O A:ALA151 4.3 14.9 1.0
HB3 A:SER150 4.3 17.8 1.0
CB A:LYS134 4.3 19.1 1.0
HA A:LYS134 4.5 20.2 1.0
HZ2 A:LYS134 4.6 27.2 1.0
ND2 A:ASN129 4.6 14.4 1.0
O B:HOH594 4.6 17.9 1.0
NZ A:LYS134 4.7 22.6 1.0
C A:ALA151 4.7 13.2 1.0
HD1 A:HIS148 4.7 18.1 1.0
O A:VAL149 4.7 16.6 1.0
ND1 A:HIS148 4.8 15.1 1.0
HB1 A:ALA151 4.8 20.5 1.0
NE2 A:HIS148 4.8 15.7 1.0
OD1 A:ASN129 4.9 22.7 1.0
HE2 A:HIS148 4.9 18.8 1.0
N A:SER150 4.9 16.5 1.0
HA A:ALA151 5.0 16.7 1.0
CA A:LYS134 5.0 16.8 1.0

Chlorine binding site 3 out of 4 in 4xf5

Go back to Chlorine Binding Sites List in 4xf5
Chlorine binding site 3 out of 4 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Chromohalobacter Salexigens Dsm 3043 (CSAL_0678), Target Efi-501078, with Bound (S)-(+)-2-Amino-1-Propanol.


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 A Trap Periplasmic Solute Binding Protein From Chromohalobacter Salexigens Dsm 3043 (CSAL_0678), Target Efi-501078, with Bound (S)-(+)-2-Amino-1-Propanol. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:14.9
occ:1.00
H B:ALA54 2.5 16.7 1.0
HD2 B:PRO53 2.8 16.4 1.0
HG B:SER271 2.8 15.2 1.0
OG B:SER271 3.0 12.6 1.0
O B:HOH596 3.1 16.7 1.0
HB2 B:PRO53 3.1 21.9 1.0
HB2 B:ALA54 3.1 19.0 1.0
O B:HOH573 3.1 11.7 1.0
HA B:ALA51 3.2 18.6 1.0
HA B:SER271 3.2 13.6 1.0
HB3 B:ALA54 3.2 19.0 1.0
N B:ALA54 3.3 13.9 1.0
HB2 B:SER271 3.4 14.2 1.0
CB B:ALA54 3.6 15.8 1.0
N B:ALA51 3.6 13.3 1.0
CA B:ALA51 3.6 15.5 1.0
C B:ALA51 3.6 17.3 1.0
CD B:PRO53 3.6 13.7 1.0
CB B:SER271 3.6 11.8 1.0
O B:ALA51 3.6 14.5 1.0
C B:VAL50 3.6 12.4 1.0
O B:VAL50 3.7 12.7 1.0
CA B:SER271 3.9 11.3 1.0
CB B:PRO53 3.9 18.2 1.0
N B:PRO53 3.9 13.6 1.0
HG2 B:PRO53 3.9 20.5 1.0
H B:ALA51 4.0 15.9 1.0
CA B:ALA54 4.0 13.7 1.0
CG B:PRO53 4.1 17.1 1.0
HD1 B:HIS274 4.2 15.9 1.0
HA B:VAL50 4.2 15.3 1.0
C B:PRO53 4.2 16.7 1.0
O B:HIS49 4.2 18.3 1.0
CA B:PRO53 4.3 15.3 1.0
N B:LYS52 4.3 14.4 1.0
HD3 B:PRO53 4.4 16.4 1.0
HB1 B:ALA54 4.4 19.0 1.0
CA B:VAL50 4.4 12.8 1.0
HB3 B:SER271 4.5 14.2 1.0
HB3 B:HIS274 4.6 15.1 1.0
H B:LYS52 4.6 17.3 1.0
HA B:ALA54 4.6 16.5 1.0
H B:ILE55 4.7 17.7 1.0
O B:SER271 4.7 11.2 1.0
HB3 B:PRO53 4.7 21.9 1.0
C B:LYS52 4.7 16.3 1.0
HE B:ARG275 4.7 13.2 1.0
ND1 B:HIS274 4.7 13.2 1.0
C B:SER271 4.8 9.6 1.0
HH11 B:ARG275 4.8 14.0 1.0
C B:HIS49 4.8 14.9 1.0
OE1 B:GLN270 4.8 17.9 1.0
N B:VAL50 4.9 13.6 1.0
N B:SER271 4.9 10.2 1.0

Chlorine binding site 4 out of 4 in 4xf5

Go back to Chlorine Binding Sites List in 4xf5
Chlorine binding site 4 out of 4 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Chromohalobacter Salexigens Dsm 3043 (CSAL_0678), Target Efi-501078, with Bound (S)-(+)-2-Amino-1-Propanol.


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 A Trap Periplasmic Solute Binding Protein From Chromohalobacter Salexigens Dsm 3043 (CSAL_0678), Target Efi-501078, with Bound (S)-(+)-2-Amino-1-Propanol. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:20.2
occ:1.00
H B:ALA151 2.3 15.3 1.0
HD3 B:LYS134 2.6 36.7 1.0
HE2 B:LYS134 2.7 34.2 1.0
HA B:SER150 2.9 15.5 1.0
HB3 B:PHE128 3.0 14.6 1.0
HE1 B:HIS148 3.1 17.9 1.0
O B:HOH644 3.1 19.9 1.0
N B:ALA151 3.2 12.8 1.0
HB3 B:ALA151 3.3 14.1 1.0
CD B:LYS134 3.4 30.6 1.0
CE B:LYS134 3.4 28.5 1.0
HD2 B:PHE128 3.5 14.3 1.0
O B:HOH657 3.5 25.4 1.0
HB2 B:LYS134 3.6 21.0 1.0
HB2 B:SER150 3.6 16.1 1.0
CA B:SER150 3.7 12.9 1.0
CB B:PHE128 3.8 12.2 1.0
CB B:ALA151 3.9 11.8 1.0
CE1 B:HIS148 3.9 14.9 1.0
HE3 B:LYS134 3.9 34.2 1.0
CD2 B:PHE128 4.0 12.0 1.0
C B:SER150 4.0 12.2 1.0
HB2 B:ALA151 4.0 14.1 1.0
HB2 B:PHE128 4.0 14.6 1.0
HD2 B:LYS134 4.1 36.7 1.0
CA B:ALA151 4.1 11.9 1.0
HG2 B:LYS134 4.1 31.8 1.0
CB B:SER150 4.1 13.5 1.0
HD22 B:ASN129 4.1 21.1 1.0
CG B:LYS134 4.2 26.5 1.0
CG B:PHE128 4.2 12.1 1.0
O B:ALA151 4.2 13.0 1.0
HB3 B:SER150 4.3 16.1 1.0
CB B:LYS134 4.3 17.5 1.0
HZ1 B:LYS134 4.5 25.4 1.0
HA B:LYS134 4.5 16.1 1.0
NZ B:LYS134 4.6 21.1 1.0
ND2 B:ASN129 4.6 17.6 1.0
C B:ALA151 4.6 13.2 1.0
O A:HOH570 4.6 16.0 1.0
HD1 B:HIS148 4.7 17.7 1.0
ND1 B:HIS148 4.7 14.8 1.0
HB1 B:ALA151 4.8 14.1 1.0
NE2 B:HIS148 4.9 15.1 1.0
HE2 B:HIS148 4.9 18.2 1.0
O B:VAL149 4.9 15.3 1.0
HZ3 B:LYS134 4.9 25.4 1.0
HA B:ALA151 4.9 14.2 1.0
N B:SER150 4.9 15.0 1.0
OD1 B:ASN129 5.0 26.5 1.0
CA B:LYS134 5.0 13.4 1.0
HD21 B:ASN129 5.0 21.1 1.0
CE2 B:PHE128 5.0 13.2 1.0

Reference:

M.W.Vetting, N.F.Al Obaidi, R.Toro, L.L.Morisco, J.Benach, 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 A Trap Periplasmic Solute Binding Protein From Chromohalobacter Salexigens Dsm 3043 (CSAL_0678), Target Efi-501078, with Bound (S)-(+)-2-Amino-1-Propanol. To Be Published.
Page generated: Sat Dec 12 11:20:17 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy