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Chlorine in PDB 3bmw: Cyclodextrin Glycosyl Transferase From Thermoanerobacterium Thermosulfurigenes EM1 Mutant S77P Complexed with A Maltoheptaose Inhibitor

Enzymatic activity of Cyclodextrin Glycosyl Transferase From Thermoanerobacterium Thermosulfurigenes EM1 Mutant S77P Complexed with A Maltoheptaose Inhibitor

All present enzymatic activity of Cyclodextrin Glycosyl Transferase From Thermoanerobacterium Thermosulfurigenes EM1 Mutant S77P Complexed with A Maltoheptaose Inhibitor:
2.4.1.19;

Protein crystallography data

The structure of Cyclodextrin Glycosyl Transferase From Thermoanerobacterium Thermosulfurigenes EM1 Mutant S77P Complexed with A Maltoheptaose Inhibitor, PDB code: 3bmw was solved by H.J.Rozeboom, N.Van Oosterwijk, B.W.Dijkstra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.48 / 1.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 73.791, 96.582, 115.241, 90.00, 90.00, 90.00
R / Rfree (%) 14.4 / 16.5

Other elements in 3bmw:

The structure of Cyclodextrin Glycosyl Transferase From Thermoanerobacterium Thermosulfurigenes EM1 Mutant S77P Complexed with A Maltoheptaose Inhibitor also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Cyclodextrin Glycosyl Transferase From Thermoanerobacterium Thermosulfurigenes EM1 Mutant S77P Complexed with A Maltoheptaose Inhibitor (pdb code 3bmw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Cyclodextrin Glycosyl Transferase From Thermoanerobacterium Thermosulfurigenes EM1 Mutant S77P Complexed with A Maltoheptaose Inhibitor, PDB code: 3bmw:

Chlorine binding site 1 out of 1 in 3bmw

Go back to Chlorine Binding Sites List in 3bmw
Chlorine binding site 1 out of 1 in the Cyclodextrin Glycosyl Transferase From Thermoanerobacterium Thermosulfurigenes EM1 Mutant S77P Complexed with A Maltoheptaose Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cyclodextrin Glycosyl Transferase From Thermoanerobacterium Thermosulfurigenes EM1 Mutant S77P Complexed with A Maltoheptaose Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl700

b:18.2
occ:1.00
 O A:HOH1228 3.1 25.9 1.0
O A:HOH993 3.2 27.1 1.0
O A:HOH1172 3.2 24.0 1.0
NE A:ARG285 3.2 6.4 1.0
NH2 A:ARG285 3.3 8.1 1.0
CA A:MET307 3.7 6.4 1.0
CZ A:ARG285 3.7 7.5 1.0
CG A:MET307 3.8 6.9 1.0
CB A:MET307 3.9 6.2 1.0
CB A:SER310 4.1 8.2 1.0
CG2 A:THR311 4.1 7.0 1.0
CB A:ARG285 4.2 5.9 1.0
OG A:SER310 4.2 9.5 1.0
O A:MET307 4.2 6.7 1.0
CD A:ARG285 4.4 6.4 1.0
CG A:ARG285 4.4 5.9 1.0
O A:HOH1472 4.4 32.1 1.0
C A:MET307 4.5 6.4 1.0
O A:HOH924 4.7 17.4 1.0
N A:MET307 4.7 6.2 1.0
N A:THR311 4.7 7.4 1.0
O A:HOH813 4.8 16.5 1.0
O A:HOH1384 4.8 28.5 1.0
O A:SER306 4.8 6.5 0.5

Reference:

R.M.Kelly, H.Leemhuis, H.J.Rozeboom, N.Van Oosterwijk, B.W.Dijkstra, L.Dijkhuizen. Elimination of Competing Hydrolysis and Coupling Side Reactions of A Cyclodextrin Glucanotransferase By Directed Evolution. Biochem.J. V. 413 517 2008.
ISSN: ISSN 0264-6021
PubMed: 18422488
DOI: 10.1042/BJ20080353
Page generated: Sat Jul 20 16:37:10 2024

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