Atomistry » Calcium » PDB 3bje-3bxk » 3bmw
Atomistry »
  Calcium »
    PDB 3bje-3bxk »
      3bmw »

Calcium 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:

Chlorine (Cl) 1 atom

Calcium Binding Sites:

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium where determined in the Cyclodextrin Glycosyl Transferase From Thermoanerobacterium Thermosulfurigenes EM1 Mutant S77P Complexed with A Maltoheptaose Inhibitor, PDB code: 3bmw:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 3bmw

Go back to Calcium Binding Sites List in 3bmw
Calcium binding site 1 out of 2 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 Calcium with other atoms in the Ca 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:Ca698

b:10.7
occ:1.00
 O A:HIS234 2.3 7.5 1.0
OD1 A:ASN140 2.4 5.8 1.0
O A:HOH808 2.5 12.0 1.0
O A:ILE191 2.5 6.6 1.0
OD2 A:ASP200 2.5 5.9 1.0
O A:HOH734 2.5 9.8 1.0
O A:HOH834 2.5 12.1 1.0
OD1 A:ASP200 2.5 6.7 1.0
CG A:ASP200 2.9 6.5 1.0
CG A:ASN140 3.5 6.1 1.0
C A:HIS234 3.5 7.1 1.0
C A:ILE191 3.6 6.4 1.0
ND2 A:ASN140 4.0 6.2 1.0
CA A:ILE191 4.3 6.3 1.0
O A:ASN140 4.3 6.7 1.0
CB A:HIS234 4.4 7.1 1.0
CB A:ASP200 4.4 6.8 1.0
N A:MET235 4.4 6.7 1.0
O A:ARG193 4.5 7.6 1.0
CG A:MET235 4.5 7.1 1.0
CA A:HIS234 4.5 7.0 1.0
CA A:MET235 4.5 6.8 1.0
O A:GLY190 4.6 5.5 1.0
ND1 A:HIS177 4.6 7.4 1.0
N A:TYR192 4.7 6.3 1.0
O A:LEU201 4.7 6.7 1.0
CB A:ASN140 4.7 6.5 1.0
O A:HOH1307 4.8 14.6 1.0
CE1 A:HIS177 4.8 7.3 1.0
CG2 A:ILE191 4.8 6.3 1.0
OE1 A:GLN203 5.0 7.3 1.0
NE2 A:GLN203 5.0 6.4 1.0

Calcium binding site 2 out of 2 in 3bmw

Go back to Calcium Binding Sites List in 3bmw
Calcium binding site 2 out of 2 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 Calcium with other atoms in the Ca binding site number 2 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:Ca699

b:11.5
occ:1.00
 OD1 A:ASN33 2.3 9.8 1.0
OD2 A:ASP53 2.3 9.2 1.0
OD1 A:ASN32 2.3 9.9 1.0
O A:GLY51 2.4 6.3 1.0
OD1 A:ASP27 2.4 6.6 1.0
O A:HOH857 2.5 12.8 1.0
O A:ASN29 2.5 7.2 1.0
CG A:ASP53 3.4 6.9 1.0
CG A:ASN32 3.4 8.9 1.0
CG A:ASP27 3.4 7.1 1.0
CG A:ASN33 3.5 8.2 1.0
C A:GLY51 3.5 6.4 1.0
C A:ASN29 3.6 8.0 1.0
CB A:ASP53 3.9 6.1 1.0
ND2 A:ASN32 3.9 10.2 1.0
CA A:GLY51 4.0 6.2 1.0
OD2 A:ASP27 4.1 7.4 1.0
N A:ASN33 4.1 7.8 1.0
N A:ASN29 4.2 8.0 1.0
ND2 A:ASN33 4.2 8.3 1.0
O A:TYR112 4.3 6.6 1.0
CA A:ASN33 4.4 7.9 1.0
CA A:ASN29 4.4 8.2 1.0
OD1 A:ASP53 4.4 6.8 1.0
CB A:ASP27 4.4 7.3 1.0
N A:THR30 4.4 8.0 1.0
CA A:THR30 4.5 8.3 1.0
CA A:ASP27 4.5 7.0 1.0
C A:ASN32 4.5 7.9 1.0
CB A:ASN33 4.5 7.9 1.0
N A:GLY52 4.7 6.0 1.0
CB A:ASN32 4.7 8.1 1.0
C A:GLY52 4.8 6.0 1.0
C A:ASP27 4.8 7.4 1.0
N A:GLY28 4.8 7.3 1.0
N A:ASP53 4.8 6.2 1.0
O A:HOH818 4.8 11.7 1.0
C A:THR30 4.9 8.1 1.0
CA A:ASN32 4.9 7.9 1.0
CB A:ASN29 4.9 8.9 1.0
N A:ASN32 4.9 7.5 1.0
O A:ASN32 5.0 8.1 1.0
O A:THR30 5.0 8.5 1.0
O A:GLY52 5.0 6.2 1.0

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 13 08:20:24 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy