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Calcium in PDB 6jfj: Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltohexaose and Alpha-Cyclodextrin

Enzymatic activity of Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltohexaose and Alpha-Cyclodextrin

All present enzymatic activity of Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltohexaose and Alpha-Cyclodextrin:
3.2.1.41;

Protein crystallography data

The structure of Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltohexaose and Alpha-Cyclodextrin, PDB code: 6jfj was solved by S.W.Wu, S.Q.Yang, Z.Qin, X.You, P.Huang, Z.Q.Jiang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.09 / 1.93
Space group P 2 21 21
Cell size a, b, c (Å), α, β, γ (°) 49.911, 98.179, 140.187, 90.00, 90.00, 90.00
R / Rfree (%) 14.6 / 18.9

Other elements in 6jfj:

The structure of Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltohexaose and Alpha-Cyclodextrin also contains other interesting chemical elements:

Chlorine (Cl) 8 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltohexaose and Alpha-Cyclodextrin (pdb code 6jfj). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltohexaose and Alpha-Cyclodextrin, PDB code: 6jfj:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 6jfj

Go back to Calcium Binding Sites List in 6jfj
Calcium binding site 1 out of 2 in the Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltohexaose and Alpha-Cyclodextrin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltohexaose and Alpha-Cyclodextrin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca735

b:21.6
occ:1.00
 O A:TYR217 2.2 11.7 1.0
OD1 A:ASP216 2.2 14.3 1.0
OE2 A:GLU224 2.3 14.9 1.0
O A:HOH911 2.3 26.4 1.0
O A:HOH860 2.3 19.0 1.0
OE1 A:GLU245 2.3 11.3 1.0
CD A:GLU245 3.2 15.2 1.0
CD A:GLU224 3.3 18.5 1.0
OE2 A:GLU245 3.3 14.2 1.0
C A:TYR217 3.4 15.0 1.0
CG A:ASP216 3.4 13.4 1.0
N A:TYR217 3.6 13.2 1.0
CG A:GLU224 3.8 16.3 1.0
O A:HOH963 3.9 15.5 1.0
OD2 A:ASP216 4.0 17.3 1.0
CA A:TYR217 4.1 14.2 1.0
C A:ASP216 4.2 13.5 1.0
OE1 A:GLU224 4.3 17.8 1.0
N A:GLY246 4.4 12.3 1.0
OE1 A:GLN239 4.4 29.3 1.0
CA A:ASP216 4.4 9.6 1.0
C A:SER218 4.4 24.5 1.0
N A:SER218 4.4 14.6 1.0
CB A:ASP216 4.5 12.5 1.0
O A:SER218 4.5 19.8 1.0
CG A:GLU245 4.6 13.4 1.0
O A:VAL222 4.6 21.0 1.0
CA A:SER218 4.7 20.8 1.0
CD1 A:TYR217 4.7 15.2 1.0
N A:GLN219 4.8 19.2 1.0
CA A:GLU245 4.8 11.4 1.0
OD1 A:ASN125 4.9 20.3 1.0
CG A:TYR217 4.9 14.2 1.0
CB A:GLU245 5.0 12.1 1.0

Calcium binding site 2 out of 2 in 6jfj

Go back to Calcium Binding Sites List in 6jfj
Calcium binding site 2 out of 2 in the Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltohexaose and Alpha-Cyclodextrin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltohexaose and Alpha-Cyclodextrin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca736

b:61.5
occ:1.00
 O A:HOH837 2.4 27.8 1.0
O A:HOH1216 2.4 39.9 1.0
O A:HOH859 2.4 31.8 1.0
O A:HOH879 2.5 30.2 1.0
O A:HOH1212 2.5 34.4 1.0
O A:HOH1170 4.2 17.8 1.0
O A:HOH1067 4.3 31.9 1.0
CA A:GLY403 4.4 20.8 1.0
OD2 A:ASP368 4.5 22.6 1.0
OD1 A:ASP368 4.5 21.3 1.0
O A:PRO372 4.5 18.2 1.0
O A:GLY403 4.7 20.1 1.0
NE A:ARG364 4.9 13.5 1.0
CG A:ASP368 4.9 21.4 1.0
CZ A:ARG364 4.9 16.3 1.0
O A:HOH1205 4.9 35.4 1.0

Reference:

S.W.Wu, S.Q.Yang, Z.Qin, X.You, P.Huang, Z.Q.Jiang. Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltohexaose and Alpha-Cyclodextrin To Be Published.
Page generated: Wed Jul 9 15:06:49 2025

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