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Chlorine in PDB 5cxp: X-Ray Crystallographic Protein Structure of the Glycoside Hydrolase Family 30 Subfamily 8 Xylanase, XYN30A, From Clostridium Acetobutylicum

Protein crystallography data

The structure of X-Ray Crystallographic Protein Structure of the Glycoside Hydrolase Family 30 Subfamily 8 Xylanase, XYN30A, From Clostridium Acetobutylicum, PDB code: 5cxp was solved by F.J.St John, E.Pozharski, J.C.Hurlbert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.77
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 81.483, 91.866, 141.251, 90.00, 90.00, 90.00
R / Rfree (%) 16.9 / 21

Other elements in 5cxp:

The structure of X-Ray Crystallographic Protein Structure of the Glycoside Hydrolase Family 30 Subfamily 8 Xylanase, XYN30A, From Clostridium Acetobutylicum also contains other interesting chemical elements:

Sodium (Na) 7 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Chlorine atom in the X-Ray Crystallographic Protein Structure of the Glycoside Hydrolase Family 30 Subfamily 8 Xylanase, XYN30A, From Clostridium Acetobutylicum (pdb code 5cxp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 16 binding sites of Chlorine where determined in the X-Ray Crystallographic Protein Structure of the Glycoside Hydrolase Family 30 Subfamily 8 Xylanase, XYN30A, From Clostridium Acetobutylicum, PDB code: 5cxp:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 16 in 5cxp

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Chlorine binding site 1 out of 16 in the X-Ray Crystallographic Protein Structure of the Glycoside Hydrolase Family 30 Subfamily 8 Xylanase, XYN30A, From Clostridium Acetobutylicum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystallographic Protein Structure of the Glycoside Hydrolase Family 30 Subfamily 8 Xylanase, XYN30A, From Clostridium Acetobutylicum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl608

b:17.1
occ:1.00
O A:HOH949 3.1 13.4 1.0
O A:HOH988 3.2 20.0 1.0
O A:HOH960 3.3 16.1 1.0
NZ A:LYS104 3.5 10.3 0.5
O A:HOH890 3.6 6.7 0.5
CE A:LYS104 3.7 12.5 0.5
CE A:LYS104 3.8 10.6 0.5
CB A:ALA145 3.9 12.6 1.0
CG A:LYS104 4.0 12.3 0.5
CG A:LYS104 4.1 11.2 0.5
O A:ALA145 4.2 13.4 1.0
NA A:NA602 4.4 32.3 1.0
CD A:LYS104 4.5 12.4 0.5
CD A:LYS104 4.6 10.9 0.5
CA A:ALA145 4.7 12.1 1.0
N A:ALA145 4.8 11.1 1.0
C A:ALA145 4.8 13.3 1.0
O A:HOH1105 4.9 22.0 1.0
NZ A:LYS104 4.9 12.8 0.5

Chlorine binding site 2 out of 16 in 5cxp

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Chlorine binding site 2 out of 16 in the X-Ray Crystallographic Protein Structure of the Glycoside Hydrolase Family 30 Subfamily 8 Xylanase, XYN30A, From Clostridium Acetobutylicum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Crystallographic Protein Structure of the Glycoside Hydrolase Family 30 Subfamily 8 Xylanase, XYN30A, From Clostridium Acetobutylicum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl609

b:17.7
occ:1.00
O A:HOH1154 3.0 35.2 1.0
O A:HOH1142 3.1 22.8 1.0
O A:HOH1120 3.2 46.3 1.0
OD1 A:ASN193 3.3 15.5 1.0
N A:PRO190 3.6 10.2 1.0
C A:ASP189 3.6 10.0 1.0
CA A:PRO190 3.7 10.1 1.0
CG A:PRO190 3.7 11.2 1.0
O A:ASP189 3.8 9.9 1.0
CB A:ASP189 3.8 11.7 1.0
CD A:PRO190 3.9 10.9 1.0
CG A:ASN193 4.2 11.5 1.0
CB A:PRO190 4.3 11.1 1.0
CA A:ASP189 4.3 10.7 1.0
CB A:ASN193 4.4 11.6 1.0
O A:HOH950 4.7 21.3 1.0
O A:HOH798 4.8 19.5 1.0
O A:HOH1048 4.9 31.5 1.0
C A:PRO190 5.0 10.6 1.0
CG A:ASP189 5.0 12.8 1.0

Chlorine binding site 3 out of 16 in 5cxp

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Chlorine binding site 3 out of 16 in the X-Ray Crystallographic Protein Structure of the Glycoside Hydrolase Family 30 Subfamily 8 Xylanase, XYN30A, From Clostridium Acetobutylicum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Crystallographic Protein Structure of the Glycoside Hydrolase Family 30 Subfamily 8 Xylanase, XYN30A, From Clostridium Acetobutylicum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl610

b:18.1
occ:1.00
O A:HOH821 3.2 18.6 1.0
O A:HOH892 3.2 11.1 1.0
N A:GLN156 3.5 10.9 1.0
N A:ALA155 3.7 9.6 1.0
CG A:GLN156 3.7 15.3 0.6
CB A:THR154 3.7 9.9 1.0
CB A:GLN156 4.0 11.3 0.4
CB A:GLN156 4.0 13.4 0.6
CB A:ALA155 4.0 10.1 1.0
OG1 A:THR154 4.1 9.3 1.0
CA A:ALA155 4.2 10.2 1.0
C A:ALA155 4.3 10.6 1.0
CA A:GLN156 4.3 11.0 0.4
CA A:GLN156 4.4 11.7 0.6
C A:THR154 4.4 9.5 1.0
CA A:THR154 4.6 9.8 1.0
CG2 A:THR154 4.6 10.4 1.0
O A:HOH882 4.8 12.2 1.0
CD A:GLN156 4.8 16.6 0.6
NE2 A:GLN156 4.9 15.5 0.6
O A:HOH1131 5.0 29.2 1.0

Chlorine binding site 4 out of 16 in 5cxp

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Chlorine binding site 4 out of 16 in the X-Ray Crystallographic Protein Structure of the Glycoside Hydrolase Family 30 Subfamily 8 Xylanase, XYN30A, From Clostridium Acetobutylicum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Crystallographic Protein Structure of the Glycoside Hydrolase Family 30 Subfamily 8 Xylanase, XYN30A, From Clostridium Acetobutylicum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl611

b:15.8
occ:0.50
O A:HOH1077 3.1 19.7 1.0
N A:ALA379 3.3 14.7 1.0
CG A:PRO333 3.5 19.8 1.0
CB A:ALA379 3.8 15.1 1.0
CB A:PRO378 3.8 14.0 1.0
CD A:PRO333 4.0 19.4 1.0
CA A:PRO378 4.0 13.7 1.0
C A:PRO378 4.1 14.8 1.0
CA A:ALA379 4.1 14.1 1.0
O A:ALA379 4.7 12.2 1.0
CB A:PRO333 4.7 18.3 1.0
N A:PRO333 4.7 19.8 1.0
O A:HOH933 4.8 7.8 1.0
C A:ALA379 4.9 13.1 1.0
CG A:PRO378 5.0 13.9 1.0

Chlorine binding site 5 out of 16 in 5cxp

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Chlorine binding site 5 out of 16 in the X-Ray Crystallographic Protein Structure of the Glycoside Hydrolase Family 30 Subfamily 8 Xylanase, XYN30A, From Clostridium Acetobutylicum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of X-Ray Crystallographic Protein Structure of the Glycoside Hydrolase Family 30 Subfamily 8 Xylanase, XYN30A, From Clostridium Acetobutylicum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl612

b:20.5
occ:1.00
O A:HOH995 3.1 27.4 1.0
N A:LYS282 3.3 12.6 1.0
O A:HOH1032 3.3 36.1 1.0
CG A:LYS282 3.4 12.6 0.4
CB A:ASN236 3.4 13.4 1.0
CA A:TYR281 3.7 12.8 1.0
CG A:ASN236 3.8 13.7 1.0
CD1 A:TYR281 3.9 14.2 1.0
C A:TYR281 4.0 12.9 1.0
CB A:LYS282 4.1 12.7 0.4
CB A:LYS282 4.1 13.7 0.6
CG A:LYS282 4.1 13.5 0.6
ND2 A:ASN236 4.2 13.8 1.0
OD1 A:ASN236 4.2 15.0 1.0
O A:THR280 4.2 14.9 1.0
CA A:LYS282 4.3 12.3 0.4
CA A:LYS282 4.3 12.5 0.6
CB A:TYR281 4.4 12.8 1.0
CE A:LYS282 4.6 12.2 0.4
CD A:LYS282 4.6 12.2 0.4
CG A:TYR281 4.6 13.2 1.0
O A:ASN236 4.7 13.1 1.0
O A:HOH1158 4.7 35.1 1.0
CE1 A:TYR281 4.8 16.1 1.0
N A:TYR281 4.8 12.9 1.0
CA A:ASN236 4.8 13.1 1.0
O A:HOH991 4.8 22.6 1.0
CD A:LYS282 4.9 14.6 0.6
C A:THR280 5.0 14.5 1.0

Chlorine binding site 6 out of 16 in 5cxp

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Chlorine binding site 6 out of 16 in the X-Ray Crystallographic Protein Structure of the Glycoside Hydrolase Family 30 Subfamily 8 Xylanase, XYN30A, From Clostridium Acetobutylicum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of X-Ray Crystallographic Protein Structure of the Glycoside Hydrolase Family 30 Subfamily 8 Xylanase, XYN30A, From Clostridium Acetobutylicum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl613

b:19.6
occ:1.00
N A:THR16 3.2 14.7 1.0
ND2 A:ASN258 3.4 12.5 1.0
CA A:GLN15 3.7 14.2 1.0
CB A:GLN15 3.8 14.4 1.0
OG1 A:THR16 3.9 17.2 1.0
CB A:THR16 3.9 15.4 1.0
C A:GLN15 4.0 14.9 1.0
CA A:THR16 4.1 14.6 1.0
O A:HOH979 4.2 34.9 1.0
O A:HOH1123 4.4 31.2 1.0
NH2 A:ARG18 4.4 28.7 1.0
O A:THR16 4.4 13.3 1.0
O A:HOH904 4.6 30.9 1.0
CG A:ASN258 4.6 12.1 1.0
O A:HOH813 4.7 22.5 1.0
C A:THR16 4.8 14.5 1.0
O A:HOH734 4.9 37.6 1.0
OD1 A:ASP225 4.9 12.4 1.0
O A:HIS14 5.0 16.1 1.0
N A:GLN15 5.0 14.3 1.0

Chlorine binding site 7 out of 16 in 5cxp

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Chlorine binding site 7 out of 16 in the X-Ray Crystallographic Protein Structure of the Glycoside Hydrolase Family 30 Subfamily 8 Xylanase, XYN30A, From Clostridium Acetobutylicum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of X-Ray Crystallographic Protein Structure of the Glycoside Hydrolase Family 30 Subfamily 8 Xylanase, XYN30A, From Clostridium Acetobutylicum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl614

b:25.6
occ:1.00
O A:HOH1043 3.2 24.7 1.0
N A:GLY28 3.3 13.1 1.0
O A:HOH740 3.4 38.4 1.0
O A:HOH1139 3.5 16.2 1.0
CA A:TRP26 3.6 10.4 1.0
C A:TRP26 3.6 11.2 1.0
CA A:GLY28 3.7 12.0 1.0
N A:CYS27 4.0 10.8 1.0
O A:TRP26 4.0 10.6 1.0
O A:HOH843 4.1 24.1 1.0
O A:HOH860 4.3 13.5 1.0
C9 A:P6G628 4.3 23.2 0.5
N A:TRP26 4.4 10.1 1.0
C A:CYS27 4.4 12.7 1.0
O10 A:P6G628 4.5 26.3 0.5
OD2 A:ASP67 4.5 16.4 1.0
CB A:TRP26 4.6 10.4 1.0
O A:HOH914 4.7 9.4 1.0
CD1 A:TRP26 4.8 12.1 1.0
CA A:CYS27 4.8 11.9 1.0
O A:HOH746 4.8 13.0 1.0
O A:HOH1157 4.9 41.8 1.0
C A:GLY28 4.9 12.9 1.0
C11 A:P6G628 4.9 41.0 0.5

Chlorine binding site 8 out of 16 in 5cxp

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Chlorine binding site 8 out of 16 in the X-Ray Crystallographic Protein Structure of the Glycoside Hydrolase Family 30 Subfamily 8 Xylanase, XYN30A, From Clostridium Acetobutylicum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of X-Ray Crystallographic Protein Structure of the Glycoside Hydrolase Family 30 Subfamily 8 Xylanase, XYN30A, From Clostridium Acetobutylicum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl615

b:31.5
occ:1.00
O A:HOH1099 3.1 17.9 1.0
N A:GLU234 3.1 13.6 1.0
CA A:LEU233 3.8 12.1 1.0
NZ A:LYS243 3.9 24.9 1.0
CB A:GLU234 3.9 16.8 1.0
O A:HOH822 4.0 24.6 1.0
C A:LEU233 4.0 12.4 1.0
CD2 A:LEU233 4.0 14.6 1.0
CG A:GLU234 4.0 21.4 1.0
CB A:LEU233 4.0 13.2 1.0
O A:HOH1093 4.0 36.9 1.0
CA A:GLU234 4.1 14.6 1.0
O A:GLU234 4.1 15.5 1.0
O A:HOH899 4.1 19.0 1.0
C A:GLU234 4.6 15.2 1.0
CD A:GLU234 4.6 26.3 1.0
CG A:LEU233 4.6 13.0 1.0
OE1 A:GLU234 4.6 27.4 1.0
O A:HOH708 4.7 32.5 1.0
O A:HOH1145 4.9 34.2 1.0

Chlorine binding site 9 out of 16 in 5cxp

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Chlorine binding site 9 out of 16 in the X-Ray Crystallographic Protein Structure of the Glycoside Hydrolase Family 30 Subfamily 8 Xylanase, XYN30A, From Clostridium Acetobutylicum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of X-Ray Crystallographic Protein Structure of the Glycoside Hydrolase Family 30 Subfamily 8 Xylanase, XYN30A, From Clostridium Acetobutylicum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl616

b:28.2
occ:1.00
O A:HOH1119 2.9 12.5 0.5
O A:HOH1119 4.2 16.1 0.5
O A:HOH823 4.6 12.6 0.5
O A:HOH1014 4.8 31.0 1.0

Chlorine binding site 10 out of 16 in 5cxp

Go back to Chlorine Binding Sites List in 5cxp
Chlorine binding site 10 out of 16 in the X-Ray Crystallographic Protein Structure of the Glycoside Hydrolase Family 30 Subfamily 8 Xylanase, XYN30A, From Clostridium Acetobutylicum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of X-Ray Crystallographic Protein Structure of the Glycoside Hydrolase Family 30 Subfamily 8 Xylanase, XYN30A, From Clostridium Acetobutylicum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl617

b:38.2
occ:1.00
N A:THR280 3.2 14.1 1.0
O A:HOH897 3.5 28.1 1.0
CA A:GLU279 3.6 17.9 1.0
CB A:GLU279 3.8 20.7 1.0
C A:GLU279 3.9 16.5 1.0
CG A:GLU279 4.0 25.6 1.0
O A:THR280 4.0 14.9 1.0
CA A:THR280 4.1 15.0 1.0
CB A:THR280 4.1 13.7 1.0
OG1 A:THR280 4.4 13.5 1.0
C A:THR280 4.5 14.5 1.0
O A:ASN278 4.8 20.7 1.0
OH A:TYR285 4.9 13.6 1.0
O A:HOH1032 5.0 36.1 1.0
CD A:GLU279 5.0 31.4 1.0
N A:GLU279 5.0 16.7 1.0

Reference:

J.F.St John, D.Dietrich, P.Bologna, J.C.Hurlbert, E.P.Pozharski, C.Crooks. Crystal Structure of A GH30 Xylanase To Be Published.
Page generated: Fri Jul 26 06:20:32 2024

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