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Chlorine in PDB 2z39: Crystal Structure of Brassica Juncea Chitinase Catalytic Module GLU234ALA Mutant (BJCHI3-E234A)

Enzymatic activity of Crystal Structure of Brassica Juncea Chitinase Catalytic Module GLU234ALA Mutant (BJCHI3-E234A)

All present enzymatic activity of Crystal Structure of Brassica Juncea Chitinase Catalytic Module GLU234ALA Mutant (BJCHI3-E234A):
3.2.1.14;

Protein crystallography data

The structure of Crystal Structure of Brassica Juncea Chitinase Catalytic Module GLU234ALA Mutant (BJCHI3-E234A), PDB code: 2z39 was solved by W.Ubhayasekera, T.Bergfors, S.L.Mowbray, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.10 / 1.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 60.988, 47.254, 77.668, 90.00, 100.85, 90.00
R / Rfree (%) 17.8 / 22.2

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 19;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Brassica Juncea Chitinase Catalytic Module GLU234ALA Mutant (BJCHI3-E234A) (pdb code 2z39). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 19 binding sites of Chlorine where determined in the Crystal Structure of Brassica Juncea Chitinase Catalytic Module GLU234ALA Mutant (BJCHI3-E234A), PDB code: 2z39:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 19 in 2z39

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Chlorine binding site 1 out of 19 in the Crystal Structure of Brassica Juncea Chitinase Catalytic Module GLU234ALA Mutant (BJCHI3-E234A)


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 Brassica Juncea Chitinase Catalytic Module GLU234ALA Mutant (BJCHI3-E234A) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1003

b:21.0
occ:1.00
 N A:PHE256 3.3 14.4 1.0
NH2 A:ARG260 3.4 12.0 1.0
CD A:LYS255 3.6 22.2 1.0
CA A:LYS255 3.9 16.0 1.0
O A:PHE256 4.0 12.7 1.0
CG A:PRO286 4.1 16.1 1.0
CB A:PHE256 4.1 15.9 1.0
C A:LYS255 4.1 14.8 1.0
OD2 A:ASP287 4.2 26.1 1.0
CA A:PHE256 4.2 14.1 1.0
CD2 A:PHE256 4.3 22.5 1.0
O A:HOH1070 4.4 30.4 1.0
CB A:LYS255 4.4 16.1 1.0
O A:GLY254 4.5 17.4 1.0
CE A:LYS255 4.5 26.1 1.0
CG A:ASP287 4.6 22.1 1.0
C A:PHE256 4.6 13.0 1.0
CG A:LYS255 4.6 17.7 1.0
CZ A:ARG260 4.7 11.8 1.0
CG A:PHE256 4.7 18.0 1.0
CD A:PRO286 4.7 16.6 1.0
OD1 A:ASP287 4.8 22.4 1.0
OH A:TYR258 4.9 15.6 1.0
CE2 A:TYR258 5.0 15.3 1.0

Chlorine binding site 2 out of 19 in 2z39

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Chlorine binding site 2 out of 19 in the Crystal Structure of Brassica Juncea Chitinase Catalytic Module GLU234ALA Mutant (BJCHI3-E234A)


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Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Brassica Juncea Chitinase Catalytic Module GLU234ALA Mutant (BJCHI3-E234A) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1006

b:21.2
occ:1.00
 N A:GLY377 3.2 14.8 1.0
CA A:GLY377 3.7 15.7 1.0
CB A:ASP375 3.8 15.2 1.0
CD A:PRO376 3.8 14.1 1.0
N A:PRO376 4.0 14.1 1.0
O A:GLY377 4.0 16.3 1.0
C A:GLY377 4.0 16.3 1.0
C A:ASP375 4.3 14.7 1.0
CA A:ASP375 4.3 15.3 1.0
C A:PRO376 4.3 13.5 1.0
CG A:ASP375 4.4 19.8 1.0
CA A:PRO376 4.6 13.6 1.0
CG A:PRO376 4.7 14.0 1.0
CB A:PRO376 4.7 13.3 1.0
OD1 A:ASP375 4.8 21.5 1.0
N A:SER378 4.9 16.9 1.0

Chlorine binding site 3 out of 19 in 2z39

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Chlorine binding site 3 out of 19 in the Crystal Structure of Brassica Juncea Chitinase Catalytic Module GLU234ALA Mutant (BJCHI3-E234A)


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 Brassica Juncea Chitinase Catalytic Module GLU234ALA Mutant (BJCHI3-E234A) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1010

b:29.0
occ:1.00
 O A:HOH1088 2.8 22.3 1.0
O A:GLU349 2.9 10.7 1.0
N A:GLY352 2.9 12.7 1.0
CA A:GLY352 3.3 12.6 1.0
CA A:ASP383 3.4 15.8 1.0
CA A:CYS350 3.5 11.7 1.0
C A:CYS350 3.6 12.1 1.0
CB A:ASP383 3.7 16.3 1.0
N A:ALA351 3.7 12.0 1.0
N A:ASP383 3.7 13.8 1.0
CG2 A:VAL358 3.8 9.1 1.0
C A:GLU349 3.9 11.1 1.0
C A:CYS382 4.0 12.5 1.0
O A:CYS382 4.0 11.9 1.0
C A:GLY352 4.0 13.2 1.0
C A:ALA351 4.1 13.0 1.0
N A:ARG353 4.1 11.9 1.0
O A:CYS350 4.1 11.4 1.0
SG A:CYS382 4.2 12.9 1.0
N A:CYS350 4.2 10.9 1.0
OD2 A:ASP381 4.4 18.4 1.0
CB A:VAL358 4.4 7.2 1.0
CA A:ALA351 4.5 12.7 1.0
CB A:CYS350 4.6 12.4 1.0
CA A:VAL355 4.6 9.4 1.0
N A:VAL355 4.7 9.2 1.0
CG2 A:VAL355 4.7 11.2 1.0
C A:ASP383 4.7 15.8 1.0
N A:ASP354 4.7 11.1 1.0
CG1 A:VAL358 4.8 8.9 1.0
C A:ASP354 4.8 10.0 1.0
O A:ASP354 4.8 9.3 1.0
CA A:CYS382 4.9 12.7 1.0
O A:GLY352 4.9 12.8 1.0
O A:ASP383 5.0 16.9 1.0

Chlorine binding site 4 out of 19 in 2z39

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Chlorine binding site 4 out of 19 in the Crystal Structure of Brassica Juncea Chitinase Catalytic Module GLU234ALA Mutant (BJCHI3-E234A)


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 Brassica Juncea Chitinase Catalytic Module GLU234ALA Mutant (BJCHI3-E234A) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1011

b:31.9
occ:1.00
 OH A:TYR157 3.0 13.3 1.0
N A:ASP177 3.4 9.4 1.0
N A:TYR176 3.5 9.2 1.0
NE A:ARG153 3.7 24.7 1.0
OD1 A:ASP177 3.8 23.1 1.0
CG A:ASP177 3.8 17.4 1.0
CB A:TYR176 3.8 9.2 1.0
CB A:THR175 3.9 9.9 1.0
CZ A:TYR157 4.0 13.5 1.0
CA A:TYR176 4.0 8.8 1.0
CB A:ASP177 4.1 11.6 1.0
CE2 A:TYR157 4.1 11.6 1.0
OD2 A:ASP177 4.2 23.6 1.0
O A:HOH1119 4.2 36.8 1.0
C A:TYR176 4.2 9.3 1.0
NH2 A:ARG153 4.3 29.9 1.0
CA A:ASP177 4.4 10.7 1.0
C A:THR175 4.4 9.3 1.0
CZ A:ARG153 4.5 27.8 1.0
CA A:THR175 4.5 9.3 1.0
CD A:ARG153 4.5 18.8 1.0
OG1 A:THR175 4.5 9.4 1.0
CG2 A:THR175 4.7 11.5 1.0
CD2 A:TYR176 4.7 11.0 1.0
CG A:ARG153 4.7 13.6 1.0
CG A:TYR176 4.8 10.4 1.0
O A:HOH1192 4.9 41.1 1.0

Chlorine binding site 5 out of 19 in 2z39

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Chlorine binding site 5 out of 19 in the Crystal Structure of Brassica Juncea Chitinase Catalytic Module GLU234ALA Mutant (BJCHI3-E234A)


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 Brassica Juncea Chitinase Catalytic Module GLU234ALA Mutant (BJCHI3-E234A) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1012

b:31.6
occ:1.00
 OG A:SER363 3.0 4.5 0.5
O A:HOH1113 3.0 18.6 1.0
N A:ASN225 3.5 6.6 1.0
O A:HOH1174 3.6 31.9 1.0
CB A:ASN225 3.7 8.3 1.0
CB A:SER363 3.8 5.2 0.5
CB A:SER363 3.8 6.0 0.5
CG A:ASN225 3.8 9.2 1.0
O A:HOH1142 3.9 26.2 1.0
CB B:SER218 3.9 12.1 0.5
CB A:ALA224 4.0 8.1 1.0
OG A:SER363 4.0 9.1 0.5
CB B:SER218 4.0 12.2 0.5
OG B:SER218 4.1 13.0 0.5
N A:ALA224 4.2 7.8 1.0
ND2 A:ASN225 4.2 11.8 1.0
CA A:ASN225 4.2 7.5 1.0
OD1 A:ASN225 4.2 8.0 1.0
C A:ALA224 4.3 7.2 1.0
CA A:ALA224 4.3 7.5 1.0
OG B:SER218 4.6 12.4 0.5
O B:SER218 4.8 13.8 1.0
O B:HOH1021 4.8 4.0 1.0
C A:GLY223 5.0 8.0 1.0

Chlorine binding site 6 out of 19 in 2z39

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Chlorine binding site 6 out of 19 in the Crystal Structure of Brassica Juncea Chitinase Catalytic Module GLU234ALA Mutant (BJCHI3-E234A)


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 Brassica Juncea Chitinase Catalytic Module GLU234ALA Mutant (BJCHI3-E234A) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1013

b:29.2
occ:1.00
 O A:ALA183 2.8 12.7 1.0
O A:PHE189 2.9 9.4 1.0
O A:GLY145 2.9 18.2 1.0
O A:PHE186 3.1 12.1 1.0
ND2 A:ASN191 3.2 12.9 1.0
O A:PRO187 3.4 15.0 1.0
C A:ALA183 3.6 12.5 1.0
C A:GLY145 3.6 19.7 1.0
CA A:GLY145 3.6 20.8 1.0
CA A:PRO187 3.7 14.8 1.0
C A:PRO187 3.8 14.0 1.0
C A:PHE186 3.9 13.8 1.0
C A:PHE189 4.0 10.2 1.0
CB A:ALA183 4.1 10.2 1.0
CD2 A:LEU147 4.1 17.3 1.0
CG A:LEU147 4.1 16.9 1.0
N A:PRO187 4.2 14.2 1.0
N A:LYS184 4.3 14.3 1.0
CA A:ALA183 4.3 10.8 1.0
CD1 A:LEU147 4.4 17.6 1.0
CB A:PHE189 4.4 8.7 1.0
CA A:LYS184 4.5 16.1 1.0
N A:PHE189 4.5 10.9 1.0
CG A:ASN191 4.5 13.8 1.0
CA A:PHE189 4.6 10.0 1.0
O A:HOH1039 4.6 14.3 1.0
CD2 A:PHE189 4.8 10.0 1.0
N A:SER188 4.8 13.6 1.0
N A:ASP146 4.9 19.2 1.0
N A:GLY145 5.0 21.9 1.0
C A:LYS184 5.0 16.4 1.0
N A:PHE186 5.0 14.2 1.0
CA A:PHE186 5.0 13.5 1.0

Chlorine binding site 7 out of 19 in 2z39

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Chlorine binding site 7 out of 19 in the Crystal Structure of Brassica Juncea Chitinase Catalytic Module GLU234ALA Mutant (BJCHI3-E234A)


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 Brassica Juncea Chitinase Catalytic Module GLU234ALA Mutant (BJCHI3-E234A) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1014

b:35.1
occ:1.00
 O A:HOH1188 2.9 29.6 1.0
O A:HOH1118 2.9 29.9 1.0
N A:ASN384 3.0 16.3 1.0
O A:HOH1226 3.1 33.5 1.0
CG A:GLN385 3.3 13.9 1.0
C A:ASN384 3.4 16.3 1.0
CA A:ASN384 3.4 17.4 1.0
O A:ASP381 3.4 12.6 1.0
CB A:ASN384 3.4 18.5 1.0
N A:GLN385 3.5 14.2 1.0
CA A:CYS382 3.7 12.7 1.0
C A:CYS382 3.7 12.5 1.0
N A:ASP383 3.8 13.8 1.0
O A:ASN384 3.9 16.4 1.0
C A:ASP381 4.0 12.6 1.0
O A:CYS382 4.2 11.9 1.0
N A:CYS382 4.2 12.2 1.0
C A:ASP383 4.2 15.8 1.0
NE2 A:GLN385 4.2 13.1 1.0
CB A:GLN385 4.3 12.9 1.0
CD A:GLN385 4.3 12.1 1.0
CA A:GLN385 4.4 13.4 1.0
OD1 A:ASP383 4.4 23.2 1.0
O A:GLY332 4.5 11.9 1.0
CG A:ASN384 4.6 23.0 1.0
CA A:ASP383 4.6 15.8 1.0
O A:HOH1043 4.8 22.0 1.0
CB A:CYS382 4.9 12.1 1.0

Chlorine binding site 8 out of 19 in 2z39

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Chlorine binding site 8 out of 19 in the Crystal Structure of Brassica Juncea Chitinase Catalytic Module GLU234ALA Mutant (BJCHI3-E234A)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Brassica Juncea Chitinase Catalytic Module GLU234ALA Mutant (BJCHI3-E234A) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1016

b:35.9
occ:1.00
 O A:HOH1222 2.9 41.6 1.0
N A:ASP375 3.3 14.6 1.0
OD2 A:ASP375 3.6 23.2 1.0
CA A:VAL374 3.7 14.4 1.0
O A:HOH1116 3.8 25.8 1.0
CG A:ASP375 3.8 19.8 1.0
CB A:VAL374 3.9 14.9 1.0
CB A:ALA196 3.9 15.8 1.0
CB A:ASP375 4.0 15.2 1.0
C A:VAL374 4.1 14.2 1.0
CG1 A:VAL374 4.1 16.0 1.0
CA A:ASP375 4.3 15.3 1.0
OD1 A:ASP375 4.4 21.5 1.0
O A:GLY373 4.6 15.9 1.0
O A:HOH1144 4.7 21.2 1.0
O A:HOH1092 4.8 24.5 1.0
O A:ASP375 4.9 14.5 1.0
N A:VAL374 5.0 14.2 1.0

Chlorine binding site 9 out of 19 in 2z39

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Chlorine binding site 9 out of 19 in the Crystal Structure of Brassica Juncea Chitinase Catalytic Module GLU234ALA Mutant (BJCHI3-E234A)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Brassica Juncea Chitinase Catalytic Module GLU234ALA Mutant (BJCHI3-E234A) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1001

b:12.8
occ:1.00
 O B:HOH1038 3.1 15.3 1.0
O B:HOH1172 3.2 23.0 1.0
N B:PHE256 3.3 10.6 1.0
O B:HOH1163 3.3 28.0 1.0
NH2 B:ARG260 3.4 10.4 1.0
O B:PHE256 3.9 10.0 1.0
CB B:PHE256 3.9 10.8 1.0
CD2 B:PHE256 3.9 15.5 1.0
CA B:LYS255 3.9 12.3 1.0
CD B:LYS255 4.0 13.1 1.0
CG B:PRO286 4.0 13.4 1.0
CA B:PHE256 4.1 10.4 1.0
C B:LYS255 4.1 11.6 1.0
CB B:ASP287 4.4 16.5 1.0
CB B:LYS255 4.4 12.2 1.0
CG B:PHE256 4.4 12.6 1.0
C B:PHE256 4.5 10.2 1.0
CG B:ASP287 4.6 18.2 1.0
CZ B:ARG260 4.6 9.5 1.0
CL B:CL1005 4.6 25.6 1.0
O B:GLY254 4.6 14.8 1.0
N B:ASP287 4.7 14.7 1.0
OD1 B:ASP287 4.7 15.5 1.0
CD B:PRO286 4.8 13.0 1.0
CG B:LYS255 4.8 13.0 1.0
O B:HOH1148 4.8 24.2 1.0
CA B:ASP287 5.0 15.7 1.0
CB B:PRO286 5.0 13.5 1.0

Chlorine binding site 10 out of 19 in 2z39

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Chlorine binding site 10 out of 19 in the Crystal Structure of Brassica Juncea Chitinase Catalytic Module GLU234ALA Mutant (BJCHI3-E234A)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Brassica Juncea Chitinase Catalytic Module GLU234ALA Mutant (BJCHI3-E234A) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1002

b:15.4
occ:1.00
 O B:HOH1104 2.9 23.2 1.0
N B:LYS232 3.2 7.8 1.0
N B:GLU233 3.6 9.2 1.0
CA B:TYR231 3.8 7.8 1.0
CB B:HIS169 3.8 12.1 1.0
CG B:LYS232 3.8 9.2 1.0
O B:GLU233 3.8 9.5 1.0
O B:HIS169 3.9 13.9 1.0
C B:TYR231 4.0 7.6 1.0
CD1 B:TYR231 4.0 11.0 1.0
CB B:TYR231 4.0 7.8 1.0
CG B:GLU233 4.1 12.3 1.0
CA B:LYS232 4.1 8.8 1.0
C B:HIS169 4.3 11.9 1.0
C B:LYS232 4.3 9.3 1.0
CB B:LYS232 4.4 8.9 1.0
CG B:TYR231 4.5 8.1 1.0
O B:HOH1195 4.5 32.1 1.0
CA B:GLU233 4.6 9.7 1.0
C B:GLU233 4.6 10.2 1.0
CA B:HIS169 4.7 11.9 1.0
CG B:HIS169 4.8 14.1 1.0
N B:ALA170 4.9 11.3 1.0
CD B:LYS232 4.9 10.2 1.0
CB B:GLU233 4.9 9.4 1.0
CB B:ALA170 4.9 10.9 1.0
O B:CYS230 4.9 7.9 1.0
OE2 B:GLU233 5.0 19.2 1.0

Reference:

W.Ubhayasekera, C.M.Tang, S.W.T.Ho, G.Berglund, T.Bergfors, M.-L.Chye, S.L.Mowbray. Crystal Structures of A Family 19 Chitinase From Brassica Juncea Show Flexibility of Binding Cleft Loops Febs J. V. 274 3695 2007.
ISSN: ISSN 1742-464X
PubMed: 17608716
DOI: 10.1111/J.1742-4658.2007.05906.X
Page generated: Sat Jul 20 15:24:51 2024

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