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Chlorine in PDB 5gy0: Crystal Structure of Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotetraose

Protein crystallography data

The structure of Crystal Structure of Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotetraose, PDB code: 5gy0 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) 22.94 / 1.74
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 108.023, 108.797, 139.378, 90.00, 90.00, 90.00
R / Rfree (%) 15.7 / 18.3

Other elements in 5gy0:

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

Bromine (Br) 1 atom
Calcium (Ca) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotetraose (pdb code 5gy0). 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 Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotetraose, PDB code: 5gy0:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 5gy0

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Chlorine binding site 1 out of 7 in the Crystal Structure of Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotetraose


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 Cellotetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl703

b:28.6
occ:1.00
 O A:HOH1139 2.9 23.5 1.0
O A:HOH1313 3.2 30.7 1.0
CG A:GLN305 3.3 19.4 1.0
CG A:LYS353 3.6 24.6 1.0
N A:GLN305 3.6 16.5 1.0
CB A:THR303 3.7 15.8 1.0
CD A:PRO304 3.7 15.5 1.0
CD A:LYS353 3.7 28.6 1.0
CB A:GLN305 3.8 19.9 1.0
OG1 A:THR303 3.9 17.4 1.0
N A:PRO304 4.0 16.1 1.0
O A:HOH1218 4.1 41.0 1.0
CB A:PRO304 4.3 17.7 1.0
O A:HOH1271 4.3 31.6 1.0
CA A:GLN305 4.4 15.9 1.0
CG2 A:THR303 4.4 16.0 1.0
C A:PRO304 4.5 15.9 1.0
CA A:PRO304 4.5 16.2 1.0
CG A:PRO304 4.5 19.6 1.0
C A:THR303 4.6 15.0 1.0
CD A:GLN305 4.6 26.0 1.0
O A:HOH1333 4.7 32.2 1.0
CA A:THR303 4.7 14.4 1.0
CB A:LYS353 4.8 23.4 1.0
NE2 A:GLN305 4.8 24.4 1.0
O A:HOH1151 4.8 24.8 1.0
O A:HOH1353 5.0 36.9 1.0

Chlorine binding site 2 out of 7 in 5gy0

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Chlorine binding site 2 out of 7 in the Crystal Structure of Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotetraose


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 Cellotetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl704

b:47.9
occ:1.00
 N A:GLU404 3.1 20.7 1.0
O A:HOH1295 3.6 28.2 1.0
CA A:PRO403 3.6 19.5 1.0
CG A:GLU404 3.8 30.6 1.0
C A:PRO403 3.9 19.8 1.0
CB A:GLU404 4.0 24.1 1.0
CB A:PRO403 4.1 20.2 1.0
CA A:GLU404 4.2 20.9 1.0
CD A:GLU404 4.4 45.9 1.0
CG2 A:ILE402 4.5 24.7 1.0
CA A:ILE402 4.8 20.7 1.0
N A:PRO403 4.8 19.6 1.0
OE2 A:GLU404 4.9 48.0 1.0
OE1 A:GLU404 4.9 47.5 1.0
O A:HOH1179 5.0 43.8 1.0
CG1 A:ILE402 5.0 23.8 1.0

Chlorine binding site 3 out of 7 in 5gy0

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Chlorine binding site 3 out of 7 in the Crystal Structure of Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotetraose


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 Cellotetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl705

b:25.0
occ:1.00
 CD1 A:LEU460 3.5 31.6 1.0
CD A:PRO465 3.7 22.7 1.0
CD2 A:LEU460 3.8 34.9 1.0
CG A:PRO465 4.0 23.6 1.0
CG A:LEU460 4.1 35.6 1.0
O A:ALA461 4.2 31.1 1.0
CB A:LEU460 4.2 26.6 1.0
O A:HOH829 4.3 39.8 1.0
O A:HOH898 4.3 27.7 1.0
CB A:PRO465 4.3 21.5 1.0
O A:ASN462 4.3 28.7 1.0
CB A:PHE463 4.4 23.9 1.0
CA A:PHE463 4.5 26.0 1.0
N A:PRO465 4.5 21.4 1.0
CD1 A:PHE463 4.6 19.5 1.0
O A:HOH1426 4.7 38.7 1.0
O A:HOH1417 4.7 34.1 1.0
C A:ASN462 4.7 31.6 1.0
N A:PHE463 4.8 29.2 1.0

Chlorine binding site 4 out of 7 in 5gy0

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Chlorine binding site 4 out of 7 in the Crystal Structure of Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotetraose


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 Cellotetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl706

b:36.2
occ:1.00
 N A:VAL625 3.5 25.5 1.0
CA A:GLU624 3.7 27.3 1.0
CA A:GLY628 3.7 48.5 1.0
CB A:GLU624 4.0 29.8 1.0
C A:GLY628 4.0 49.2 1.0
CG A:GLU624 4.1 33.9 1.0
C A:GLU624 4.1 26.0 1.0
CE A:LYS620 4.1 27.1 1.0
O A:VAL625 4.3 30.0 1.0
NZ A:LYS620 4.3 29.1 1.0
O A:HOH1449 4.3 50.2 1.0
O A:GLY623 4.5 24.3 1.0
O A:HOH999 4.5 38.1 1.0
CA A:VAL625 4.5 27.0 1.0
CB A:VAL625 4.6 27.9 1.0
O A:GLY628 4.7 50.6 1.0
N A:GLY628 4.8 46.4 1.0
N A:GLU624 4.9 25.0 1.0
C A:VAL625 4.9 29.8 1.0

Chlorine binding site 5 out of 7 in 5gy0

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Chlorine binding site 5 out of 7 in the Crystal Structure of Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotetraose


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 Cellotetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl704

b:49.0
occ:1.00
 O B:HOH1023 3.0 15.2 1.0
O B:HOH921 3.5 16.5 1.0
O B:GLN385 3.8 14.0 1.0
CA B:GLN385 3.9 16.1 1.0
O B:HOH1463 4.0 33.0 1.0
O B:HIS408 4.1 15.0 1.0
CG1 B:VAL377 4.1 12.8 1.0
CA B:VAL409 4.2 13.5 1.0
C B:GLN385 4.2 13.8 1.0
CB B:GLN385 4.3 18.5 1.0
CG2 B:VAL409 4.3 16.3 1.0
CG1 B:VAL409 4.3 14.3 1.0
O B:HOH851 4.4 33.2 1.0
O B:PRO384 4.4 14.9 1.0
CG B:GLN385 4.4 22.8 1.0
CB B:VAL409 4.5 15.5 1.0
O B:HOH1474 4.6 35.5 1.0
N B:LEU410 4.7 11.9 1.0
CB B:HIS406 4.8 13.4 1.0
C B:HIS408 4.8 13.6 1.0
O B:HOH1095 4.9 16.4 1.0
N B:VAL409 4.9 14.8 1.0
OE1 B:GLN385 4.9 36.3 1.0

Chlorine binding site 6 out of 7 in 5gy0

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Chlorine binding site 6 out of 7 in the Crystal Structure of Endoglucanase Celq From Clostridium Thermocellum Complexed with Cellotetraose


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 Cellotetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl705

b:28.7
occ:1.00
 CD1 B:LEU460 3.8 32.0 1.0
CD B:PRO465 3.8 22.9 1.0
CG B:PRO465 4.2 21.6 1.0
O B:ALA461 4.2 28.4 1.0
CB B:LEU460 4.2 21.6 1.0
O B:ASN462 4.4 31.0 1.0
O B:HOH976 4.5 23.1 1.0
CB B:PRO465 4.5 22.5 1.0
CG B:LEU460 4.5 28.6 1.0
CA B:PHE463 4.5 27.1 1.0
CB B:PHE463 4.5 25.5 1.0
CD1 B:PHE463 4.6 14.8 1.0
N B:PRO465 4.6 20.7 1.0
O B:HOH1503 4.7 45.0 1.0
C B:ASN462 4.8 32.5 1.0
N B:PHE463 4.9 30.8 1.0
CD2 B:LEU460 4.9 35.9 1.0

Chlorine binding site 7 out of 7 in 5gy0

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


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 Cellotetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl706

b:29.5
occ:1.00
 N B:VAL625 3.5 33.7 1.0
CA B:GLU624 3.8 31.8 1.0
CA B:GLY628 4.0 46.6 1.0
CB B:GLU624 4.0 30.2 1.0
CE B:LYS620 4.1 33.3 1.0
O B:VAL625 4.2 38.5 1.0
C B:GLU624 4.2 33.1 1.0
CG B:GLU624 4.3 35.9 1.0
NZ B:LYS620 4.4 32.8 1.0
C B:GLY628 4.4 46.6 1.0
CB B:VAL625 4.5 36.0 1.0
O B:GLY623 4.5 30.6 1.0
CA B:VAL625 4.5 35.6 1.0
O B:GLY628 4.6 48.4 1.0
C B:VAL625 4.8 37.8 1.0
CG2 B:VAL625 4.9 38.3 1.0
N B:GLY628 4.9 45.4 1.0
N B:GLU624 4.9 29.2 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: Sat Dec 12 11:47:46 2020

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