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Chlorine in PDB 2z38: Crystal Structure of Chloride Bound Brassica Juncea Chitinase Catalytic Module (BJCHI3)

Enzymatic activity of Crystal Structure of Chloride Bound Brassica Juncea Chitinase Catalytic Module (BJCHI3)

All present enzymatic activity of Crystal Structure of Chloride Bound Brassica Juncea Chitinase Catalytic Module (BJCHI3):
3.2.1.14;

Protein crystallography data

The structure of Crystal Structure of Chloride Bound Brassica Juncea Chitinase Catalytic Module (BJCHI3), PDB code: 2z38 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) 27.63 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 48.475, 49.195, 100.907, 90.00, 90.00, 90.00
R / Rfree (%) 15.5 / 19.8

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Chloride Bound Brassica Juncea Chitinase Catalytic Module (BJCHI3) (pdb code 2z38). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Crystal Structure of Chloride Bound Brassica Juncea Chitinase Catalytic Module (BJCHI3), PDB code: 2z38:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 2z38

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Chlorine binding site 1 out of 12 in the Crystal Structure of Chloride Bound Brassica Juncea Chitinase Catalytic Module (BJCHI3)


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 Chloride Bound Brassica Juncea Chitinase Catalytic Module (BJCHI3) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1001

b:11.9
occ:1.00
 N A:SER188 3.3 4.9 1.0
N A:PRO187 3.6 4.7 1.0
CB A:SER188 3.6 5.2 1.0
CD A:PRO187 3.6 5.2 1.0
C A:PHE186 3.7 4.7 1.0
OG A:SER188 3.8 8.9 1.0
CA A:PHE186 3.9 4.4 1.0
CE A:MET305 4.0 6.6 1.0
CA A:SER188 4.0 4.2 1.0
C A:PRO187 4.2 5.0 1.0
O A:PHE186 4.2 4.4 1.0
CA A:PRO187 4.3 5.3 1.0
CB A:PRO187 4.4 6.0 1.0
CB A:PHE186 4.5 4.3 1.0
CG A:PRO187 4.5 5.8 1.0
N A:PHE189 4.7 3.3 1.0
C A:SER188 4.9 4.1 1.0

Chlorine binding site 2 out of 12 in 2z38

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Chlorine binding site 2 out of 12 in the Crystal Structure of Chloride Bound Brassica Juncea Chitinase Catalytic Module (BJCHI3)


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 Chloride Bound Brassica Juncea Chitinase Catalytic Module (BJCHI3) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1002

b:11.7
occ:1.00
 O A:HOH1096 3.2 18.6 1.0
N A:LYS232 3.2 7.9 1.0
CG A:LYS232 3.8 7.0 1.0
N A:GLU233 3.8 9.3 1.0
CA A:TYR231 3.8 7.4 1.0
CD1 A:TYR231 4.0 8.1 1.0
O A:HIS169 4.0 11.5 1.0
CB A:TYR231 4.0 8.4 1.0
CB A:HIS169 4.0 11.6 1.0
C A:TYR231 4.0 7.8 1.0
CG A:GLU233 4.1 12.6 1.0
O A:GLU233 4.1 10.1 1.0
CA A:LYS232 4.2 7.7 1.0
O A:HOH1026 4.2 56.4 1.0
C A:HIS169 4.4 10.3 1.0
C A:LYS232 4.4 8.7 1.0
CG A:TYR231 4.5 9.1 1.0
CB A:LYS232 4.5 7.6 1.0
O A:HOH1198 4.6 46.9 1.0
CA A:GLU233 4.7 10.4 1.0
CB A:ALA170 4.7 8.1 1.0
C A:GLU233 4.8 10.8 1.0
OE2 A:GLU233 4.9 20.7 1.0
CA A:HIS169 4.9 10.7 1.0
CD A:LYS232 4.9 7.3 1.0
N A:ALA170 4.9 9.3 1.0
CB A:GLU233 5.0 11.0 1.0
CE A:LYS232 5.0 11.4 1.0

Chlorine binding site 3 out of 12 in 2z38

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Chlorine binding site 3 out of 12 in the Crystal Structure of Chloride Bound Brassica Juncea Chitinase Catalytic Module (BJCHI3)


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 Chloride Bound Brassica Juncea Chitinase Catalytic Module (BJCHI3) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1003

b:14.7
occ:1.00
 N A:PHE256 3.2 10.3 1.0
NH2 A:ARG260 3.3 7.4 1.0
CA A:LYS255 3.8 11.2 1.0
CG A:PRO286 3.9 10.1 1.0
O A:PHE256 3.9 9.3 1.0
C A:LYS255 4.0 10.7 1.0
CB A:PHE256 4.1 10.5 1.0
CD A:LYS255 4.1 15.4 1.0
CA A:PHE256 4.1 10.0 1.0
CD2 A:PHE256 4.2 13.5 1.0
CB A:LYS255 4.3 11.9 1.0
O A:GLY254 4.4 12.3 1.0
C A:PHE256 4.5 9.4 1.0
CZ A:ARG260 4.6 7.5 1.0
CD A:PRO286 4.6 11.2 1.0
CG A:PHE256 4.6 11.5 1.0
O A:HOH1058 4.6 18.9 1.0
CB A:ASP287 4.7 14.9 1.0
OD1 A:ASP287 4.7 19.2 1.0
CG A:LYS255 4.8 12.3 1.0
CG A:ASP287 4.9 17.4 1.0
N A:ASP287 4.9 12.4 1.0
OH A:TYR258 4.9 13.5 1.0

Chlorine binding site 4 out of 12 in 2z38

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Chlorine binding site 4 out of 12 in the Crystal Structure of Chloride Bound Brassica Juncea Chitinase Catalytic Module (BJCHI3)


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 Chloride Bound Brassica Juncea Chitinase Catalytic Module (BJCHI3) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1004

b:14.1
occ:1.00
 O A:HOH1245 3.1 29.4 1.0
O A:HOH1053 3.2 14.2 1.0
CG A:PRO187 3.7 5.8 1.0
CB A:PRO187 4.5 6.0 1.0
CD A:PRO187 5.0 5.2 1.0
O A:LYS184 5.0 9.6 1.0

Chlorine binding site 5 out of 12 in 2z38

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Chlorine binding site 5 out of 12 in the Crystal Structure of Chloride Bound Brassica Juncea Chitinase Catalytic Module (BJCHI3)


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 Chloride Bound Brassica Juncea Chitinase Catalytic Module (BJCHI3) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1005

b:14.8
occ:1.00
 N A:ARG153 3.4 6.8 1.0
O A:HOH1125 3.4 20.8 1.0
NH1 A:ARG153 3.5 14.0 1.0
CB A:ARG153 3.6 8.2 1.0
CG A:ARG153 3.7 7.9 1.0
CD A:ARG153 3.8 9.3 1.0
CA A:ARG153 4.1 7.6 1.0
CB A:SER152 4.3 6.2 1.0
C A:SER152 4.4 5.9 1.0
CA A:SER152 4.4 5.7 1.0
CZ A:ARG153 4.5 13.1 1.0
NE A:ARG153 4.6 12.3 1.0
N A:ASP154 4.8 7.9 1.0
OH A:TYR176 4.9 6.3 1.0
CE2 A:TYR176 5.0 6.3 1.0

Chlorine binding site 6 out of 12 in 2z38

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Chlorine binding site 6 out of 12 in the Crystal Structure of Chloride Bound Brassica Juncea Chitinase Catalytic Module (BJCHI3)


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 Chloride Bound Brassica Juncea Chitinase Catalytic Module (BJCHI3) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1006

b:18.8
occ:1.00
 O A:HOH1150 3.1 32.8 1.0
ND2 A:ASN379 3.3 10.1 1.0
CD1 A:LEU334 4.1 13.3 1.0
CG A:ASN379 4.2 9.3 1.0
OD1 A:ASN379 4.3 11.9 1.0
CB A:LEU334 4.3 10.8 1.0
CG A:LEU334 4.6 12.3 1.0
CD2 A:LEU334 4.6 14.1 1.0

Chlorine binding site 7 out of 12 in 2z38

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Chlorine binding site 7 out of 12 in the Crystal Structure of Chloride Bound Brassica Juncea Chitinase Catalytic Module (BJCHI3)


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 Chloride Bound Brassica Juncea Chitinase Catalytic Module (BJCHI3) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1007

b:18.1
occ:1.00
 O A:HOH1157 3.2 29.1 1.0
N A:GLY219 3.2 13.1 1.0
N A:ALA224 3.3 6.0 1.0
CA A:GLY219 3.9 12.6 1.0
O A:HOH1207 3.9 36.0 1.0
CB A:ALA224 3.9 6.2 1.0
O A:TRP217 3.9 10.5 1.0
CA A:GLY223 3.9 7.7 1.0
O A:HOH1015 4.1 10.7 1.0
C A:GLY223 4.1 6.9 1.0
N A:ALA220 4.2 11.2 1.0
C A:SER218 4.2 13.1 1.0
CA A:ALA224 4.2 5.4 1.0
CA A:SER218 4.2 13.2 1.0
O A:HOH1242 4.4 40.0 1.0
C A:GLY219 4.5 12.0 1.0
O A:ALA220 4.8 10.9 1.0
C A:TRP217 4.8 11.0 1.0
N A:GLY223 5.0 8.0 1.0

Chlorine binding site 8 out of 12 in 2z38

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Chlorine binding site 8 out of 12 in the Crystal Structure of Chloride Bound Brassica Juncea Chitinase Catalytic Module (BJCHI3)


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 Chloride Bound Brassica Juncea Chitinase Catalytic Module (BJCHI3) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1008

b:23.0
occ:1.00
 O A:HOH1200 2.6 28.4 1.0
O A:HOH1178 3.2 36.5 1.0
OD1 A:ASN191 3.4 9.1 1.0
O A:ASN191 3.7 9.2 1.0
NE A:ARG198 3.7 7.2 1.0
CB A:ASN191 3.8 5.8 1.0
CA A:ASN191 3.8 6.0 1.0
CZ A:ARG198 3.9 9.7 1.0
CE1 A:PHE144 3.9 9.3 1.0
CD A:ARG198 3.9 5.0 1.0
O A:HOH1203 3.9 56.5 1.0
CG A:ASN191 4.0 6.2 1.0
NH1 A:ARG198 4.1 12.8 1.0
C A:ASN191 4.1 7.2 1.0
NH2 A:ARG198 4.4 11.4 1.0
CD1 A:PHE144 4.5 10.2 1.0
O A:HOH1078 4.8 22.3 1.0
CZ A:PHE144 4.8 9.9 1.0
O A:HOH1076 4.8 17.2 1.0
CG A:ARG198 4.9 5.1 1.0

Chlorine binding site 9 out of 12 in 2z38

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Chlorine binding site 9 out of 12 in the Crystal Structure of Chloride Bound Brassica Juncea Chitinase Catalytic Module (BJCHI3)


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 Chloride Bound Brassica Juncea Chitinase Catalytic Module (BJCHI3) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1009

b:71.3
occ:1.00
 NZ A:LYS357 3.0 30.1 1.0
O A:HOH1099 3.0 20.9 1.0
O A:HOH1238 3.2 49.2 1.0
CL A:CL1000 3.3 46.9 1.0
CE A:LYS357 3.8 27.5 1.0
CG2 A:THR214 4.0 5.9 1.0
O A:HOH1114 4.1 24.0 1.0
CE1 A:HIS211 4.1 11.2 1.0
CD A:LYS357 4.2 24.8 1.0
O A:HOH1204 4.5 33.2 1.0
NE2 A:HIS211 4.7 9.9 1.0
ND1 A:HIS211 4.8 9.3 1.0
O A:HIS211 4.8 5.7 1.0

Chlorine binding site 10 out of 12 in 2z38

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Chlorine binding site 10 out of 12 in the Crystal Structure of Chloride Bound Brassica Juncea Chitinase Catalytic Module (BJCHI3)


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 Chloride Bound Brassica Juncea Chitinase Catalytic Module (BJCHI3) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1000

b:46.9
occ:1.00
 O A:HOH1238 2.9 49.2 1.0
CL A:CL1009 3.3 71.3 1.0
CD A:LYS357 3.5 24.8 1.0
CE1 A:HIS211 3.5 11.2 1.0
CB A:ASP360 3.7 8.8 1.0
CG A:ASP360 3.8 12.0 1.0
OD2 A:ASP360 3.8 15.5 1.0
ND1 A:HIS211 4.0 9.3 1.0
CA A:LYS357 4.2 14.6 1.0
O A:HOH1199 4.3 26.2 1.0
CE A:LYS357 4.3 27.5 1.0
NZ A:LYS357 4.4 30.1 1.0
O A:ALA356 4.5 15.9 1.0
OD1 A:ASP360 4.5 14.4 1.0
CG A:LYS357 4.6 18.1 1.0
NE2 A:HIS211 4.7 9.9 1.0
CB A:LYS357 4.8 15.3 1.0
N A:LYS357 4.8 15.2 1.0
C A:ALA356 4.8 16.0 1.0
CG2 A:THR214 4.9 5.9 1.0
O A:LYS357 4.9 13.2 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: Fri Jul 11 02:50:07 2025

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