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Chlorine in PDB 5gy1: Crystal Structure of Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotriose

Protein crystallography data

The structure of Crystal Structure of Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotriose, PDB code: 5gy1 was solved by W.Y.Jeng, C.I.Liu, A.H.J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.94 / 1.99
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 106.546, 108.623, 137.716, 90.00, 90.00, 90.00
R / Rfree (%) 15.5 / 18.4

Other elements in 5gy1:

The structure of Crystal Structure of Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotriose also contains other interesting chemical elements:

Bromine (Br) 5 atoms
Calcium (Ca) 4 atoms

Chlorine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotriose (pdb code 5gy1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the Crystal Structure of Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotriose, PDB code: 5gy1:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in 5gy1

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Chlorine binding site 1 out of 11 in the Crystal Structure of Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotriose


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 Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotriose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl703

b:29.2
occ:1.00
 N A:GLU54 3.3 15.8 1.0
CB A:GLU54 3.9 18.8 1.0
CA A:PRO53 3.9 14.5 1.0
CB A:PRO53 4.0 16.5 1.0
C A:PRO53 4.1 16.4 1.0
CA A:GLU54 4.2 17.1 1.0
CD1 A:TRP55 4.3 16.1 1.0
NE1 A:TRP55 4.4 17.2 1.0
N A:TRP55 4.9 14.3 1.0

Chlorine binding site 2 out of 11 in 5gy1

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Chlorine binding site 2 out of 11 in the Crystal Structure of Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotriose


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 Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotriose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl704

b:24.3
occ:1.00
 O A:HOH1010 2.9 25.2 1.0
CG A:GLN305 3.3 27.6 1.0
CG A:LYS353 3.5 24.3 1.0
CD A:PRO304 3.7 15.6 1.0
CD A:LYS353 3.7 20.7 1.0
N A:GLN305 3.8 18.4 1.0
CB A:GLN305 3.9 19.9 1.0
CB A:THR303 3.9 17.0 1.0
OG1 A:THR303 4.1 19.6 1.0
N A:PRO304 4.1 16.9 1.0
CA A:GLN305 4.4 20.2 1.0
CB A:PRO304 4.5 18.2 1.0
CG A:PRO304 4.5 17.6 1.0
CB A:LYS353 4.6 22.5 1.0
C A:PRO304 4.6 18.0 1.0
CD A:GLN305 4.6 27.9 1.0
CG2 A:THR303 4.6 16.9 1.0
CA A:PRO304 4.7 17.0 1.0
C A:THR303 4.8 16.9 1.0
O A:HOH1199 4.8 34.6 1.0
NE2 A:GLN305 4.9 28.1 1.0
CA A:THR303 4.9 16.7 1.0
O A:HOH939 5.0 25.1 1.0

Chlorine binding site 3 out of 11 in 5gy1

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Chlorine binding site 3 out of 11 in the Crystal Structure of Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotriose


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 Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotriose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl705

b:53.5
occ:1.00
 O A:HOH983 2.9 12.3 1.0
O A:HOH1161 2.9 32.2 1.0
O A:GLN385 3.6 16.4 1.0
O A:HIS408 3.8 14.9 1.0
O A:HOH838 3.9 17.1 1.0
CA A:GLN385 4.0 18.8 1.0
CA A:VAL409 4.1 13.4 1.0
C A:GLN385 4.2 16.8 1.0
CG2 A:VAL409 4.4 14.3 1.0
CG1 A:VAL377 4.4 12.0 1.0
O A:HOH949 4.4 33.3 1.0
CG1 A:VAL409 4.4 14.1 1.0
CB A:GLN385 4.4 20.3 1.0
CB A:VAL409 4.6 13.0 1.0
O A:PRO384 4.6 19.1 1.0
CB A:HIS406 4.6 15.6 1.0
C A:HIS408 4.6 14.1 1.0
O A:HOH1217 4.7 33.7 1.0
O A:HOH918 4.7 18.1 1.0
CG A:GLN385 4.7 25.8 1.0
N A:VAL409 4.8 13.8 1.0
N A:LEU410 4.8 11.8 1.0
OE1 A:GLN385 4.8 35.3 1.0

Chlorine binding site 4 out of 11 in 5gy1

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Chlorine binding site 4 out of 11 in the Crystal Structure of Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotriose


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 Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotriose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl707

b:26.7
occ:1.00
 CD1 A:LEU460 3.5 28.1 1.0
CD A:PRO465 3.7 20.6 1.0
CG A:PRO465 4.0 22.3 1.0
O A:HOH1007 4.1 24.6 1.0
O A:ALA461 4.1 26.6 1.0
O A:ASN462 4.2 27.3 1.0
CG A:LEU460 4.3 30.1 1.0
CB A:LEU460 4.3 24.8 1.0
CD2 A:LEU460 4.4 30.9 1.0
CA A:PHE463 4.4 23.5 1.0
CB A:PHE463 4.4 22.4 1.0
CB A:PRO465 4.5 23.2 1.0
C A:ASN462 4.6 27.6 1.0
N A:PHE463 4.6 25.9 1.0
N A:PRO465 4.6 21.9 1.0
CD1 A:PHE463 4.7 17.8 1.0

Chlorine binding site 5 out of 11 in 5gy1

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Chlorine binding site 5 out of 11 in the Crystal Structure of Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotriose


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 Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotriose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl709

b:29.5
occ:1.00
 OE2 A:GLU435 3.4 33.4 1.0
NH1 A:ARG390 3.5 14.9 1.0
N A:GLY78 3.6 12.2 1.0
O A:HOH971 3.7 28.4 1.0
C A:GLY78 3.8 14.0 1.0
CA A:GLY78 3.8 12.2 1.0
N A:ALA79 3.8 13.8 1.0
OE1 A:GLU435 3.8 33.7 1.0
ND1 A:HIS388 3.9 20.0 1.0
CE1 A:HIS388 3.9 18.0 1.0
CD A:GLU435 4.1 28.7 1.0
CB A:ALA79 4.1 16.0 1.0
CE1 A:HIS145 4.3 27.0 1.0
O A:GLY78 4.4 12.7 1.0
CZ A:ARG390 4.4 16.5 1.0
CB A:ALA77 4.5 11.3 1.0
NH2 A:ARG390 4.5 15.0 1.0
ND1 A:HIS145 4.5 25.9 1.0
CA A:ALA79 4.6 14.8 1.0
NE2 A:HIS145 4.7 25.1 1.0
O A:HIS388 4.8 13.9 1.0
C A:ALA77 4.8 13.2 1.0
BR A:BR708 4.8 33.4 1.0
O A:HOH1066 4.9 19.9 1.0
CG A:HIS145 5.0 21.0 1.0

Chlorine binding site 6 out of 11 in 5gy1

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Chlorine binding site 6 out of 11 in the Crystal Structure of Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotriose


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 Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotriose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl714

b:24.4
occ:1.00
 O A:HOH907 3.1 41.7 1.0
C A:GLY628 3.4 46.3 1.0
O A:GLY628 3.5 48.1 1.0
N A:VAL625 3.5 26.7 1.0
CA A:GLU624 3.8 25.9 1.0
CG2 A:VAL625 3.9 26.6 1.0
CB A:GLU624 4.0 25.6 1.0
NZ A:LYS620 4.1 25.1 1.0
CE A:LYS620 4.1 27.4 1.0
CG A:GLU624 4.2 31.1 1.0
C A:GLU624 4.2 26.7 1.0
O A:VAL625 4.2 26.3 1.0
O A:HOH817 4.5 36.9 1.0
CA A:VAL625 4.5 26.1 1.0
O A:GLY623 4.6 25.4 1.0
CB A:VAL625 4.7 26.7 1.0
CA A:GLY628 4.8 45.4 1.0
C A:VAL625 4.9 27.9 1.0

Chlorine binding site 7 out of 11 in 5gy1

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Chlorine binding site 7 out of 11 in the Crystal Structure of Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotriose


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 Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotriose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl704

b:14.3
occ:1.00
 O B:HOH997 3.2 19.3 1.0
C B:ALA79 3.3 13.0 1.0
CB B:ALA79 3.5 12.2 1.0
N B:ALA79 3.5 13.9 1.0
N B:ALA77 3.5 11.0 1.0
N B:HIS80 3.5 11.4 1.0
NE2 B:HIS145 3.6 21.1 1.0
CA B:ALA79 3.6 13.1 1.0
O B:ALA79 3.6 14.2 1.0
N B:VAL81 3.6 11.7 1.0
CB B:ASP76 3.9 11.3 1.0
O B:VAL81 4.0 11.9 1.0
N B:ASP76 4.0 10.8 1.0
CB B:ALA77 4.1 9.8 1.0
CA B:ALA77 4.2 11.1 1.0
CB B:VAL81 4.2 11.3 1.0
CE1 B:HIS145 4.3 23.3 1.0
CA B:ASP76 4.3 11.7 1.0
CA B:VAL81 4.4 11.7 1.0
C B:ALA77 4.4 11.6 1.0
C B:ASP76 4.4 11.5 1.0
N B:GLY78 4.4 11.7 1.0
CA B:HIS80 4.4 11.8 1.0
C B:HIS80 4.5 12.1 1.0
CD2 B:HIS145 4.5 18.4 1.0
CE2 B:PHE83 4.6 14.2 1.0
C B:VAL81 4.6 12.3 1.0
CG2 B:VAL81 4.6 10.8 1.0
OD2 B:ASP76 4.7 13.6 1.0
C B:GLY78 4.8 14.2 1.0
CG B:ASP76 4.8 15.1 1.0
CD2 B:PHE83 4.9 8.3 1.0
OD1 B:ASP144 4.9 17.3 1.0
O B:ALA77 5.0 13.7 1.0

Chlorine binding site 8 out of 11 in 5gy1

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Chlorine binding site 8 out of 11 in the Crystal Structure of Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotriose


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 Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotriose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl705

b:22.8
occ:1.00
 O B:HOH1024 3.3 19.1 1.0
OG B:SER218 3.4 18.3 1.0
CE1 B:HIS220 3.7 25.2 1.0
CB B:SER218 3.8 15.0 1.0
CA B:GLY215 3.8 17.8 1.0
N B:GLY215 4.1 18.7 1.0
O B:HOH825 4.2 37.7 1.0
NE2 B:HIS220 4.2 21.5 1.0
C B:GLY215 4.6 19.3 1.0
ND1 B:HIS220 4.7 23.9 1.0
O B:GLY215 4.8 20.3 1.0
OD1 B:ASN214 5.0 29.5 1.0

Chlorine binding site 9 out of 11 in 5gy1

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Chlorine binding site 9 out of 11 in the Crystal Structure of Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotriose


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 Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotriose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl706

b:33.3
occ:1.00
 O B:HOH1155 2.9 40.7 1.0
CD1 B:LEU460 3.7 30.8 1.0
CD B:PRO465 3.8 24.7 1.0
CG B:PRO465 3.9 26.6 1.0
O B:HOH923 4.1 22.9 1.0
CB B:LEU460 4.3 29.4 1.0
O B:ALA461 4.3 32.4 1.0
CG B:LEU460 4.4 31.4 1.0
O B:ASN462 4.5 31.8 1.0
CB B:PRO465 4.5 25.3 1.0
CD2 B:LEU460 4.6 34.2 1.0
CD1 B:PHE463 4.7 18.9 1.0
N B:PRO465 4.7 24.4 1.0
CA B:PHE463 4.8 29.0 1.0
CB B:PHE463 4.8 28.0 1.0
C B:ASN462 5.0 32.4 1.0

Chlorine binding site 10 out of 11 in 5gy1

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Chlorine binding site 10 out of 11 in the Crystal Structure of Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotriose


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 Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotriose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl707

b:27.9
occ:1.00
 C B:GLY628 3.5 50.5 1.0
N B:VAL625 3.6 23.9 1.0
CA B:GLU624 3.8 22.7 1.0
CE B:LYS620 4.0 19.8 1.0
CB B:GLU624 4.1 23.1 1.0
O B:GLY628 4.2 52.4 1.0
NZ B:LYS620 4.2 17.0 1.0
CG B:GLU624 4.2 28.1 1.0
O B:VAL625 4.2 26.8 1.0
CA B:GLY628 4.3 49.5 1.0
C B:GLU624 4.3 22.3 1.0
CB B:VAL625 4.3 27.3 1.0
O B:HOH932 4.4 42.9 1.0
O B:GLY623 4.5 22.5 1.0
CA B:VAL625 4.5 26.1 1.0
CG1 B:VAL625 4.7 30.4 1.0
C B:VAL625 4.9 27.9 1.0
N B:GLY628 5.0 47.5 1.0
N B:GLU624 5.0 22.2 1.0

Reference:

W.Y.Jeng, C.I.Liu, T.J.Lu, H.J.Lin, N.C.Wang, A.H.Wang. Crystal Structures of the C-Terminally Truncated Endoglucanase CEL9Q From Clostridium Thermocellum Complexed with Cellodextrins and Tris. Chembiochem V. 20 295 2019.
ISSN: ESSN 1439-7633
PubMed: 30609216
DOI: 10.1002/CBIC.201800789
Page generated: Fri Jul 26 08:38:28 2024

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