Chlorine in PDB 7rnp: Engineered Tryptophan Synthase B-Subunit From Pyrococcus Furiosus, PFTRPB2B9_H275E with 4-Cl-Trp Non-Covalently Bound

Enzymatic activity of Engineered Tryptophan Synthase B-Subunit From Pyrococcus Furiosus, PFTRPB2B9_H275E with 4-Cl-Trp Non-Covalently Bound

All present enzymatic activity of Engineered Tryptophan Synthase B-Subunit From Pyrococcus Furiosus, PFTRPB2B9_H275E with 4-Cl-Trp Non-Covalently Bound:
4.2.1.20;

Protein crystallography data

The structure of Engineered Tryptophan Synthase B-Subunit From Pyrococcus Furiosus, PFTRPB2B9_H275E with 4-Cl-Trp Non-Covalently Bound, PDB code: 7rnp was solved by P.M.Higgins, A.R.Buller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 2.25
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.162, 81.198, 321.014, 90, 90, 90
R / Rfree (%) 22.7 / 26.7

Other elements in 7rnp:

The structure of Engineered Tryptophan Synthase B-Subunit From Pyrococcus Furiosus, PFTRPB2B9_H275E with 4-Cl-Trp Non-Covalently Bound also contains other interesting chemical elements:

Sodium (Na) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Engineered Tryptophan Synthase B-Subunit From Pyrococcus Furiosus, PFTRPB2B9_H275E with 4-Cl-Trp Non-Covalently Bound (pdb code 7rnp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Engineered Tryptophan Synthase B-Subunit From Pyrococcus Furiosus, PFTRPB2B9_H275E with 4-Cl-Trp Non-Covalently Bound, PDB code: 7rnp:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 7rnp

Go back to Chlorine Binding Sites List in 7rnp
Chlorine binding site 1 out of 2 in the Engineered Tryptophan Synthase B-Subunit From Pyrococcus Furiosus, PFTRPB2B9_H275E with 4-Cl-Trp Non-Covalently Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Engineered Tryptophan Synthase B-Subunit From Pyrococcus Furiosus, PFTRPB2B9_H275E with 4-Cl-Trp Non-Covalently Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:91.1
occ:1.00
 CL1 A:6G5401 0.0 91.1 1.0
C1 A:6G5401 1.7 80.3 1.0
C2 A:6G5401 2.6 76.4 1.0
C6 A:6G5401 2.7 79.3 1.0
O A:GLY298 3.0 56.6 1.0
C9 A:6G5401 3.1 80.4 1.0
C8 A:6G5401 3.3 78.9 1.0
N A:GLY228 3.4 44.8 1.0
C5 A:6G5401 3.9 76.7 1.0
C3 A:6G5401 3.9 77.8 1.0
C A:GLY227 4.0 46.0 1.0
CA A:GLY227 4.0 44.5 1.0
N2 A:6G5401 4.0 83.3 1.0
OP4 A:LLP82 4.1 58.5 1.0
C10 A:6G5401 4.1 80.0 1.0
C A:GLY298 4.1 57.5 1.0
C5' A:LLP82 4.2 63.9 1.0
CA A:GLY228 4.3 44.8 1.0
CB A:TYR301 4.4 55.7 1.0
C4 A:6G5401 4.4 78.0 1.0
CD2 A:LEU161 4.5 99.3 1.0
C7 A:6G5401 4.5 77.2 1.0
OP2 A:LLP82 4.6 57.5 1.0
OP3 A:LLP82 4.7 52.4 1.0
OG A:SER185 4.8 50.4 1.0
CB A:SER185 4.8 51.4 1.0
P A:LLP82 4.8 53.8 1.0
N1 A:6G5401 4.9 77.0 1.0
CA A:GLY298 4.9 58.9 1.0
C4' A:LLP82 4.9 67.0 1.0
CG A:TYR301 5.0 57.3 1.0

Chlorine binding site 2 out of 2 in 7rnp

Go back to Chlorine Binding Sites List in 7rnp
Chlorine binding site 2 out of 2 in the Engineered Tryptophan Synthase B-Subunit From Pyrococcus Furiosus, PFTRPB2B9_H275E with 4-Cl-Trp Non-Covalently Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Engineered Tryptophan Synthase B-Subunit From Pyrococcus Furiosus, PFTRPB2B9_H275E with 4-Cl-Trp Non-Covalently Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:95.2
occ:1.00
 CL1 B:6G5401 0.0 95.2 1.0
C1 B:6G5401 1.7 87.0 1.0
C2 B:6G5401 2.7 85.7 1.0
C6 B:6G5401 2.7 85.3 1.0
O B:GLY298 3.1 67.2 1.0
C9 B:6G5401 3.2 82.3 1.0
C8 B:6G5401 3.2 82.7 1.0
N B:GLY228 3.6 64.8 1.0
N2 B:6G5401 3.8 81.1 1.0
C10 B:6G5401 3.9 80.5 1.0
C5 B:6G5401 3.9 85.8 1.0
C3 B:6G5401 4.0 83.6 1.0
C B:GLY227 4.0 66.1 1.0
OP4 B:LLP82 4.1 66.8 1.0
C B:GLY298 4.2 67.3 1.0
CA B:GLY227 4.2 64.4 1.0
CB B:TYR301 4.2 73.1 1.0
C5' B:LLP82 4.3 69.9 1.0
CA B:GLY228 4.3 63.9 1.0
C4 B:6G5401 4.4 84.3 1.0
CD2 B:LEU161 4.5 79.0 1.0
C7 B:6G5401 4.5 82.9 1.0
O B:GLY227 4.8 69.9 1.0
CG B:TYR301 4.9 73.2 1.0
N1 B:6G5401 4.9 84.1 1.0
OP2 B:LLP82 4.9 64.9 1.0
CA B:GLY298 4.9 67.8 1.0
OP3 B:LLP82 4.9 65.3 1.0
C4' B:LLP82 4.9 71.6 1.0
OG B:SER185 4.9 58.3 1.0
CB B:SER185 4.9 57.9 1.0
P B:LLP82 5.0 62.3 1.0

Reference:

P.M.Higgins, A.R.Buller. Direct Assessment of Promiscuity During Protein Engineering By Substrate Multiplexed Screening To Be Published.
Page generated: Tue Apr 4 21:36:55 2023

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