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Chlorine in PDB 3lub: Crystal Structure of Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution

Protein crystallography data

The structure of Crystal Structure of Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution, PDB code: 3lub was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.03 / 2.11
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 55.906, 156.790, 170.161, 90.00, 95.29, 90.00
R / Rfree (%) 15.1 / 19.3

Other elements in 3lub:

The structure of Crystal Structure of Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution also contains other interesting chemical elements:

Calcium (Ca) 12 atoms
Zinc (Zn) 24 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution (pdb code 3lub). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 13 binding sites of Chlorine where determined in the Crystal Structure of Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution, PDB code: 3lub:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 13 in 3lub

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Chlorine binding site 1 out of 13 in the Crystal Structure of Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution


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 Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl255

b:47.1
occ:1.00
 ND2 A:ASN77 3.1 22.4 1.0
O A:HOH1008 3.4 32.1 1.0
N A:ARG206 3.4 23.8 1.0
CA A:PRO205 3.9 22.4 1.0
NH2 F:ARG129 3.9 29.0 1.0
CB A:ARG206 4.1 27.1 1.0
C A:PRO205 4.2 23.0 1.0
CZ2 A:TRP203 4.2 25.1 1.0
NE1 A:TRP203 4.2 22.9 1.0
CG A:ASN77 4.3 24.3 1.0
CA A:ARG206 4.4 25.5 1.0
CE2 A:TRP203 4.5 24.7 1.0
CB A:PRO205 4.5 22.0 1.0
OD1 A:ASN77 4.6 28.0 1.0
O F:HOH1076 4.6 30.9 1.0
O A:VAL204 4.6 21.8 1.0
O A:HOH1966 4.8 39.6 1.0

Chlorine binding site 2 out of 13 in 3lub

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Chlorine binding site 2 out of 13 in the Crystal Structure of Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution


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 Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl255

b:38.7
occ:1.00
 ND2 B:ASN77 3.3 21.5 1.0
O B:HOH1665 3.4 37.5 1.0
N B:ARG206 3.4 23.7 1.0
CA B:PRO205 3.9 22.4 1.0
CB B:ARG206 4.0 25.3 1.0
NE1 B:TRP203 4.1 24.6 1.0
NH2 C:ARG129 4.1 24.7 1.0
C B:PRO205 4.2 22.6 1.0
CZ2 B:TRP203 4.3 25.2 1.0
CG B:ASN77 4.3 24.4 1.0
CA B:ARG206 4.4 25.1 1.0
OD1 B:ASN77 4.4 27.4 1.0
CE2 B:TRP203 4.5 22.9 1.0
O B:VAL204 4.6 21.5 1.0
CB B:PRO205 4.7 22.2 1.0

Chlorine binding site 3 out of 13 in 3lub

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Chlorine binding site 3 out of 13 in the Crystal Structure of Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution


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 Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl257

b:38.2
occ:1.00
 ND2 C:ASN77 3.2 19.0 1.0
O C:HOH1177 3.3 29.9 1.0
N C:ARG206 3.3 23.5 1.0
CA C:PRO205 3.9 22.5 1.0
CB C:ARG206 4.0 25.4 1.0
NH2 B:ARG129 4.1 24.9 1.0
O B:HOH1185 4.1 31.3 1.0
C C:PRO205 4.1 22.8 1.0
NE1 C:TRP203 4.2 24.3 1.0
CG C:ASN77 4.2 22.4 1.0
CA C:ARG206 4.3 25.2 1.0
NH1 C:ARG206 4.4 44.7 1.0
CZ2 C:TRP203 4.4 25.8 1.0
OD1 C:ASN77 4.5 24.1 1.0
CB C:PRO205 4.5 23.1 1.0
CE2 C:TRP203 4.6 24.7 1.0
O C:VAL204 4.7 21.8 1.0
CZ3 C:TRP208 5.0 28.4 1.0

Chlorine binding site 4 out of 13 in 3lub

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Chlorine binding site 4 out of 13 in the Crystal Structure of Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution


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 Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl258

b:40.7
occ:1.00
 ND2 D:ASN77 3.1 19.8 1.0
O D:HOH820 3.3 27.0 1.0
O D:HOH1848 3.3 38.8 1.0
N D:ARG206 3.4 23.4 1.0
CA D:PRO205 3.8 22.6 1.0
O D:HOH2093 4.0 46.2 1.0
NH2 E:ARG129 4.1 21.8 1.0
CB D:ARG206 4.1 26.3 1.0
C D:PRO205 4.2 22.8 1.0
CG D:ASN77 4.2 24.2 1.0
NE1 D:TRP203 4.3 22.9 1.0
CZ2 D:TRP203 4.3 24.9 1.0
OD1 D:ASN77 4.4 24.3 1.0
CA D:ARG206 4.4 25.1 1.0
CB D:PRO205 4.5 22.8 1.0
O D:VAL204 4.5 21.4 1.0
CE2 D:TRP203 4.6 21.9 1.0
N D:PRO205 5.0 21.6 1.0

Chlorine binding site 5 out of 13 in 3lub

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Chlorine binding site 5 out of 13 in the Crystal Structure of Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution


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 Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl257

b:52.8
occ:1.00
 O E:HOH841 2.9 25.9 1.0
N E:GLU82 3.1 27.1 1.0
OE1 E:GLU82 3.3 54.0 1.0
N E:GLY79 3.3 22.3 1.0
N E:ARG81 3.5 24.3 1.0
CA E:GLY79 3.6 23.2 1.0
CB E:GLU82 3.6 30.4 1.0
CB E:ARG81 3.6 27.4 1.0
C E:GLY79 3.7 23.7 1.0
CG E:GLU82 3.8 39.2 1.0
CA E:ARG81 3.8 26.4 1.0
C E:ARG81 3.9 26.4 1.0
CA E:GLU82 3.9 29.8 1.0
CD E:GLU82 3.9 40.3 1.0
N E:GLN80 3.9 23.3 1.0
O E:HOH1758 4.1 39.5 1.0
O E:GLY79 4.2 26.2 1.0
CE1 D:PHE133 4.2 26.5 1.0
C E:GLN80 4.4 24.5 1.0
C E:PRO78 4.4 23.1 1.0
NE E:ARG81 4.5 34.5 1.0
CG1 F:VAL107 4.7 28.7 1.0
CG E:ARG81 4.8 29.0 1.0
CA E:GLN80 4.8 23.4 1.0
CA E:PRO78 4.8 23.1 1.0
CD1 D:PHE133 4.9 26.6 1.0
O E:ASN77 4.9 21.6 1.0
O E:ARG81 4.9 27.8 1.0

Chlorine binding site 6 out of 13 in 3lub

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Chlorine binding site 6 out of 13 in the Crystal Structure of Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution


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 Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl258

b:36.8
occ:1.00
 O E:HOH2136 3.2 38.1 1.0
ND2 E:ASN77 3.2 19.1 1.0
O E:HOH1799 3.3 38.4 1.0
N E:ARG206 3.5 23.5 1.0
O D:HOH1755 3.9 38.3 1.0
CA E:PRO205 4.0 22.2 1.0
CB E:ARG206 4.0 25.0 1.0
NH2 D:ARG129 4.1 24.2 1.0
NE1 E:TRP203 4.2 20.7 1.0
C E:PRO205 4.3 22.7 1.0
CG E:ASN77 4.4 24.1 1.0
CA E:ARG206 4.4 25.4 1.0
CZ2 E:TRP203 4.5 23.6 1.0
CB E:PRO205 4.6 22.4 1.0
OD1 E:ASN77 4.7 27.2 1.0
CE2 E:TRP203 4.7 22.0 1.0
O E:VAL204 4.8 21.3 1.0
O E:HOH1878 4.9 40.3 1.0

Chlorine binding site 7 out of 13 in 3lub

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Chlorine binding site 7 out of 13 in the Crystal Structure of Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution


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 Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl255

b:36.9
occ:1.00
 ND2 F:ASN77 3.3 20.2 1.0
O F:HOH936 3.4 30.9 1.0
N F:ARG206 3.5 24.0 1.0
NH2 A:ARG129 3.8 22.2 1.0
O F:HOH2182 3.9 47.7 1.0
CA F:PRO205 3.9 22.3 1.0
O F:HOH2213 4.0 50.3 1.0
CB F:ARG206 4.1 26.6 1.0
NE1 F:TRP203 4.1 23.9 1.0
CZ2 F:TRP203 4.2 25.1 1.0
C F:PRO205 4.3 22.8 1.0
CG F:ASN77 4.3 22.9 1.0
OD1 F:ASN77 4.4 26.1 1.0
CA F:ARG206 4.5 25.3 1.0
CE2 F:TRP203 4.5 24.9 1.0
CB F:PRO205 4.6 21.3 1.0
O F:VAL204 4.6 21.5 1.0

Chlorine binding site 8 out of 13 in 3lub

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Chlorine binding site 8 out of 13 in the Crystal Structure of Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution


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 Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl256

b:39.7
occ:1.00
 ND2 G:ASN77 3.1 22.6 1.0
O G:HOH958 3.3 31.9 1.0
N G:ARG206 3.3 23.6 1.0
O G:HOH2155 3.7 51.4 1.0
CA G:PRO205 3.8 22.6 1.0
NH2 L:ARG129 4.0 23.5 1.0
CB G:ARG206 4.0 26.0 1.0
C G:PRO205 4.1 23.1 1.0
CG G:ASN77 4.2 23.2 1.0
NE1 G:TRP203 4.2 19.7 1.0
CA G:ARG206 4.3 25.2 1.0
CZ2 G:TRP203 4.3 26.1 1.0
CB G:PRO205 4.4 23.7 1.0
OD1 G:ASN77 4.5 27.4 1.0
O G:VAL204 4.5 21.5 1.0
CE2 G:TRP203 4.6 20.8 1.0
CZ3 G:TRP208 4.9 26.9 1.0
N G:PRO205 4.9 21.3 1.0
O G:ARG206 5.0 21.6 1.0

Chlorine binding site 9 out of 13 in 3lub

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Chlorine binding site 9 out of 13 in the Crystal Structure of Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution


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 Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl254

b:37.8
occ:1.00
 ND2 H:ASN77 3.2 18.7 1.0
O H:HOH949 3.3 28.5 1.0
N H:ARG206 3.4 23.8 1.0
CA H:PRO205 4.0 22.4 1.0
NH2 I:ARG129 4.0 25.7 1.0
CB H:ARG206 4.0 28.3 1.0
NE1 H:TRP203 4.2 23.3 1.0
O H:HOH1280 4.2 33.0 1.0
C H:PRO205 4.2 22.9 1.0
CZ2 H:TRP203 4.3 23.7 1.0
CG H:ASN77 4.3 20.9 1.0
CA H:ARG206 4.3 25.3 1.0
OD1 H:ASN77 4.5 25.9 1.0
CE2 H:TRP203 4.5 22.1 1.0
CB H:PRO205 4.6 22.8 1.0
O H:VAL204 4.7 21.2 1.0
O H:HOH1463 5.0 36.2 1.0

Chlorine binding site 10 out of 13 in 3lub

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Chlorine binding site 10 out of 13 in the Crystal Structure of Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution


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 Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl256

b:37.7
occ:1.00
 ND2 I:ASN77 3.1 19.4 1.0
O I:HOH1058 3.1 30.2 1.0
N I:ARG206 3.3 23.6 1.0
O I:HOH1994 3.5 45.8 1.0
CA I:PRO205 3.8 22.5 1.0
CB I:ARG206 4.0 24.5 1.0
NH2 H:ARG129 4.0 22.9 1.0
NE1 I:TRP203 4.1 23.6 1.0
C I:PRO205 4.1 22.6 1.0
CZ2 I:TRP203 4.2 24.5 1.0
CG I:ASN77 4.2 22.1 1.0
CA I:ARG206 4.3 24.9 1.0
CB I:PRO205 4.4 23.0 1.0
OD1 I:ASN77 4.4 22.6 1.0
CE2 I:TRP203 4.4 20.6 1.0
O I:VAL204 4.5 21.5 1.0
O I:HOH1502 4.8 36.8 1.0
N I:PRO205 4.9 21.1 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sat Jul 20 23:40:44 2024

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