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Chlorine in PDB 6jfx: Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltopentaose

Enzymatic activity of Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltopentaose

All present enzymatic activity of Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltopentaose:
3.2.1.41;

Protein crystallography data

The structure of Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltopentaose, PDB code: 6jfx 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) 47.21 / 1.98
Space group P 2 21 21
Cell size a, b, c (Å), α, β, γ (°) 50.075, 98.733, 141.683, 90.00, 90.00, 90.00
R / Rfree (%) 14.7 / 19.1

Other elements in 6jfx:

The structure of Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltopentaose also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltopentaose (pdb code 6jfx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltopentaose, PDB code: 6jfx:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 6jfx

Go back to Chlorine Binding Sites List in 6jfx
Chlorine binding site 1 out of 7 in the Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltopentaose


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 Pullulanase From Paenibacillus Barengoltzii Complex with Maltopentaose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl720

b:30.3
occ:1.00
 N A:GLY288 3.1 19.3 1.0
ND2 A:ASN318 3.3 15.6 1.0
C A:GLY317 3.7 22.6 1.0
O A:GLY317 3.7 22.8 1.0
CA A:GLY317 3.7 22.2 1.0
CA A:GLY288 3.9 20.4 1.0
CA A:ASP287 4.1 21.3 1.0
C A:ASP287 4.1 16.4 1.0
CB A:ASN318 4.1 18.0 1.0
CG A:ASN318 4.2 22.4 1.0
N A:ASN318 4.3 18.5 1.0
O A:CYS316 4.3 27.5 1.0
CE2 A:PHE310 4.5 24.6 1.0
CD2 A:PHE310 4.5 25.7 1.0
OD1 A:ASP287 4.6 22.7 1.0
CD2 A:TYR289 4.7 30.9 1.0
CG A:ASP287 4.7 29.2 1.0
CE2 A:TYR289 4.8 35.1 1.0
CA A:ASN318 4.8 16.7 1.0
N A:GLY317 4.8 22.1 1.0
O A:TYR286 4.9 18.5 1.0
N A:TYR289 4.9 21.7 1.0
C A:GLY288 4.9 22.6 1.0
N A:ASP287 5.0 19.7 1.0

Chlorine binding site 2 out of 7 in 6jfx

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Chlorine binding site 2 out of 7 in the Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltopentaose


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 Pullulanase From Paenibacillus Barengoltzii Complex with Maltopentaose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl721

b:25.7
occ:1.00
 O A:HOH930 3.1 24.1 1.0
O A:HOH923 3.2 25.8 1.0
NE2 A:GLN454 3.4 17.1 1.0
CB A:GLN454 3.6 16.8 1.0
CG A:GLN454 3.9 15.3 1.0
CD2 A:PHE455 3.9 15.7 1.0
CA A:GLN454 3.9 16.0 1.0
O A:HOH861 4.0 36.2 1.0
N A:PHE455 4.1 15.8 1.0
CD A:GLN454 4.1 18.9 1.0
C A:GLN454 4.4 17.2 1.0
CB A:PHE455 4.7 17.8 1.0
OE1 A:GLN395 4.7 22.2 1.0
CE2 A:PHE455 4.7 20.2 1.0
CG A:PHE455 4.8 16.4 1.0
O A:HOH823 5.0 22.6 1.0
CA A:PHE455 5.0 18.3 1.0

Chlorine binding site 3 out of 7 in 6jfx

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Chlorine binding site 3 out of 7 in the Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltopentaose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltopentaose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl722

b:23.9
occ:1.00
 NZ A:LYS389 3.0 34.4 1.0
O A:HOH1209 3.0 32.5 1.0
NH1 A:ARG392 3.1 20.4 1.0
ND2 A:ASN394 3.4 21.4 1.0
CG A:MET382 3.5 18.3 1.0
CB A:MET382 3.6 18.9 1.0
CA A:MET382 3.7 17.9 1.0
O A:HOH1025 3.7 32.3 1.0
N A:MET383 3.7 19.9 1.0
CD A:ARG392 3.7 19.1 1.0
O A:HOH1100 3.9 28.2 1.0
C A:MET382 3.9 21.0 1.0
CZ A:ARG392 4.2 22.6 1.0
CE A:LYS389 4.2 29.1 1.0
CD A:LYS389 4.2 27.9 1.0
O A:MET383 4.2 20.5 1.0
CG A:LYS389 4.3 24.4 1.0
NE A:ARG392 4.4 18.2 1.0
CG A:ASN394 4.5 16.9 1.0
C A:MET383 4.6 19.8 1.0
O A:MET382 4.7 19.5 1.0
CA A:MET383 4.7 22.6 1.0

Chlorine binding site 4 out of 7 in 6jfx

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Chlorine binding site 4 out of 7 in the Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltopentaose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltopentaose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl723

b:57.2
occ:1.00
 O A:HOH1172 3.4 35.0 1.0
CB A:ASP199 4.3 19.0 1.0
CG A:PRO195 4.3 25.1 1.0
CB A:PRO195 4.4 19.9 1.0
OD2 A:ASP199 4.5 28.0 1.0
CG A:ASP199 4.6 27.3 1.0
O A:ASP199 4.6 18.3 1.0
O A:HOH950 4.9 29.7 1.0
C A:ASP199 5.0 17.8 1.0

Chlorine binding site 5 out of 7 in 6jfx

Go back to Chlorine Binding Sites List in 6jfx
Chlorine binding site 5 out of 7 in the Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltopentaose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltopentaose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl724

b:34.8
occ:1.00
 O A:HOH1175 2.9 23.8 1.0
N A:VAL115 3.1 25.5 1.0
NZ A:LYS295 3.3 37.9 1.0
CG2 A:VAL115 3.6 23.7 0.6
CG2 A:VAL115 3.6 19.6 0.4
CA A:ALA114 3.6 25.4 1.0
CG1 A:VAL115 3.7 23.6 0.4
CE A:LYS295 3.7 38.5 1.0
CB A:VAL115 3.8 21.5 0.6
CB A:ALA114 3.9 23.7 1.0
C A:ALA114 3.9 26.3 1.0
O A:HOH1009 3.9 31.8 1.0
CB A:VAL115 4.0 21.5 0.4
CB A:HIS292 4.0 16.7 1.0
CA A:VAL115 4.1 21.7 0.6
CA A:VAL115 4.1 21.7 0.4
CA A:HIS292 4.3 18.1 1.0
N A:HIS292 4.3 20.8 1.0
O A:GLU113 4.6 24.7 1.0
O A:LEU290 4.6 21.6 1.0
CD2 A:HIS292 4.7 20.2 1.0
CG A:HIS292 4.7 20.9 1.0
O A:VAL115 4.8 22.8 1.0
N A:ALA114 4.9 24.9 1.0
C A:VAL115 5.0 19.4 1.0

Chlorine binding site 6 out of 7 in 6jfx

Go back to Chlorine Binding Sites List in 6jfx
Chlorine binding site 6 out of 7 in the Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltopentaose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltopentaose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl725

b:39.0
occ:1.00
 NE2 A:HIS561 2.9 21.4 1.0
NH1 A:ARG626 3.6 23.1 1.0
CD A:ARG626 3.7 30.5 1.0
CE1 A:HIS561 3.8 19.2 1.0
CB A:ARG626 3.8 22.8 1.0
CG A:ARG626 3.8 24.4 1.0
CD2 A:HIS561 3.9 15.1 1.0
CD1 A:LEU557 4.2 17.9 1.0
O A:HOH1206 4.3 35.8 1.0
CZ A:ARG626 4.5 26.1 1.0
NE A:ARG626 4.6 25.7 1.0
O A:ARG626 4.8 23.8 1.0
CA A:ARG626 4.8 19.6 1.0
ND1 A:HIS561 4.9 19.9 1.0

Chlorine binding site 7 out of 7 in 6jfx

Go back to Chlorine Binding Sites List in 6jfx
Chlorine binding site 7 out of 7 in the Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltopentaose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Maltopentaose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl726

b:29.8
occ:1.00
 NE2 A:HIS231 3.0 21.3 1.0
NZ A:LYS179 3.1 22.9 1.0
O A:HOH913 3.2 19.7 1.0
O A:HOH1031 3.2 29.5 1.0
O A:SER247 3.5 21.4 1.0
CE1 A:HIS231 3.5 26.6 1.0
NH1 A:ARG164 3.6 16.5 1.0
CE A:LYS179 3.7 23.0 1.0
CD1 A:LEU227 3.9 26.4 1.0
CB A:LEU227 4.2 25.3 1.0
CD2 A:HIS231 4.2 17.6 1.0
O A:HOH991 4.3 35.0 1.0
CD A:LYS179 4.3 20.2 1.0
CD2 A:LEU227 4.4 24.8 1.0
CG A:LEU227 4.4 29.2 1.0
C A:SER247 4.6 18.7 1.0
O A:HOH1008 4.6 18.5 1.0
CZ A:ARG164 4.6 20.8 1.0
O A:HOH1103 4.7 30.6 1.0
O A:GLY178 4.7 19.4 1.0
CB A:SER247 4.8 15.9 1.0
ND1 A:HIS231 4.8 22.7 1.0
O A:LEU227 4.9 32.8 1.0
O A:LYS177 4.9 18.0 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 Maltopentaose To Be Published.
Page generated: Sun Jul 28 02:06:37 2024

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