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Chlorine in PDB 6jhi: Crystal Structure of Mutant D470A of Pullulanase From Paenibacillus Barengoltzii Complexed with Maltotetraose

Enzymatic activity of Crystal Structure of Mutant D470A of Pullulanase From Paenibacillus Barengoltzii Complexed with Maltotetraose

All present enzymatic activity of Crystal Structure of Mutant D470A of Pullulanase From Paenibacillus Barengoltzii Complexed with Maltotetraose:
3.2.1.41;

Protein crystallography data

The structure of Crystal Structure of Mutant D470A of Pullulanase From Paenibacillus Barengoltzii Complexed with Maltotetraose, PDB code: 6jhi 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) 38.07 / 2.32
Space group P 2 21 21
Cell size a, b, c (Å), α, β, γ (°) 50.757, 98.517, 141.824, 90.00, 90.00, 90.00
R / Rfree (%) 15.3 / 21

Other elements in 6jhi:

The structure of Crystal Structure of Mutant D470A of Pullulanase From Paenibacillus Barengoltzii Complexed with Maltotetraose also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Mutant D470A of Pullulanase From Paenibacillus Barengoltzii Complexed with Maltotetraose (pdb code 6jhi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Mutant D470A of Pullulanase From Paenibacillus Barengoltzii Complexed with Maltotetraose, PDB code: 6jhi:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6jhi

Go back to Chlorine Binding Sites List in 6jhi
Chlorine binding site 1 out of 2 in the Crystal Structure of Mutant D470A of Pullulanase From Paenibacillus Barengoltzii Complexed with Maltotetraose


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 Mutant D470A of Pullulanase From Paenibacillus Barengoltzii Complexed with Maltotetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl709

b:22.6
occ:0.80
NZ A:LYS389 3.1 44.7 1.0
NH1 A:ARG392 3.1 24.4 1.0
ND2 A:ASN394 3.3 24.3 1.0
CG A:MET382 3.5 25.0 1.0
CB A:MET382 3.5 23.3 1.0
CA A:MET382 3.8 28.1 1.0
CE A:LYS389 3.8 45.5 1.0
N A:MET383 3.9 19.8 1.0
CD A:ARG392 3.9 24.7 1.0
O A:HOH946 3.9 30.4 1.0
C A:MET382 4.0 22.9 1.0
CD A:LYS389 4.0 33.7 1.0
CZ A:ARG392 4.2 24.2 1.0
O A:MET383 4.2 26.1 1.0
CG A:LYS389 4.5 31.9 1.0
NE A:ARG392 4.5 20.8 1.0
CG A:ASN394 4.5 24.3 1.0
C A:MET383 4.7 25.4 1.0
OD2 A:ASP396 4.8 28.0 1.0
O A:MET382 4.9 29.0 1.0
CA A:MET383 4.9 25.4 1.0

Chlorine binding site 2 out of 2 in 6jhi

Go back to Chlorine Binding Sites List in 6jhi
Chlorine binding site 2 out of 2 in the Crystal Structure of Mutant D470A of Pullulanase From Paenibacillus Barengoltzii Complexed with Maltotetraose


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 Mutant D470A of Pullulanase From Paenibacillus Barengoltzii Complexed with Maltotetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl710

b:34.2
occ:1.00
NE2 A:HIS231 2.9 19.4 1.0
NZ A:LYS179 3.1 21.9 1.0
O A:HOH1009 3.1 33.2 1.0
O A:HOH940 3.2 25.0 1.0
O A:SER247 3.4 18.3 1.0
CE1 A:HIS231 3.5 26.4 1.0
NH1 A:ARG164 3.6 20.6 1.0
CE A:LYS179 3.9 27.3 1.0
CD2 A:HIS231 4.1 26.2 1.0
CB A:LEU227 4.2 23.9 1.0
CD1 A:LEU227 4.2 26.3 1.0
O A:HOH1086 4.3 31.2 1.0
CD2 A:LEU227 4.3 23.1 1.0
CD A:LYS179 4.3 24.7 1.0
CG A:LEU227 4.4 28.6 1.0
C A:SER247 4.5 23.1 1.0
O A:HOH837 4.5 20.0 1.0
CZ A:ARG164 4.6 25.2 1.0
ND1 A:HIS231 4.7 23.7 1.0
CB A:SER247 4.7 19.6 1.0
O A:GLY178 4.8 24.7 1.0
O A:LEU227 4.8 34.1 1.0
O A:HOH1123 4.9 29.8 1.0
CA A:SER247 4.9 19.2 1.0

Reference:

S.W.Wu, S.Q.Yang, Z.Qin, X.You, P.Huang, Z.Q.Jiang. Crystal Structure of Mutant D470A of Pullulanase From Paenibacillus Barengoltzii Complexed with Maltotetraose To Be Published.
Page generated: Sun Jul 28 02:06:57 2024

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