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Chlorine in PDB 3nqi: Crystal Structure of A Putative Lipoprotein (BF3042) From Bacteroides Fragilis Nctc 9343 at 1.87 A Resolution

Protein crystallography data

The structure of Crystal Structure of A Putative Lipoprotein (BF3042) From Bacteroides Fragilis Nctc 9343 at 1.87 A Resolution, PDB code: 3nqi 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) 47.29 / 1.87
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 157.490, 77.227, 97.406, 90.00, 103.85, 90.00
R / Rfree (%) 19.1 / 22

Other elements in 3nqi:

The structure of Crystal Structure of A Putative Lipoprotein (BF3042) From Bacteroides Fragilis Nctc 9343 at 1.87 A Resolution also contains other interesting chemical elements:

Cadmium (Cd) 27 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Putative Lipoprotein (BF3042) From Bacteroides Fragilis Nctc 9343 at 1.87 A Resolution (pdb code 3nqi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Crystal Structure of A Putative Lipoprotein (BF3042) From Bacteroides Fragilis Nctc 9343 at 1.87 A Resolution, PDB code: 3nqi:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 3nqi

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Chlorine binding site 1 out of 9 in the Crystal Structure of A Putative Lipoprotein (BF3042) From Bacteroides Fragilis Nctc 9343 at 1.87 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 A Putative Lipoprotein (BF3042) From Bacteroides Fragilis Nctc 9343 at 1.87 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl321

b:53.5
occ:1.00
 O A:HOH633 3.2 36.5 1.0
NZ A:LYS235 3.4 34.4 1.0
CE A:LYS235 3.5 37.0 1.0
CD1 A:ILE186 3.6 30.3 1.0
O A:HOH557 3.7 36.9 1.0
CG2 A:THR237 4.2 20.3 1.0
OE2 A:GLU260 4.4 38.1 1.0
CG2 A:ILE186 4.6 27.9 1.0
CD A:LYS235 4.9 36.2 1.0
CG1 A:ILE186 4.9 25.9 1.0

Chlorine binding site 2 out of 9 in 3nqi

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Chlorine binding site 2 out of 9 in the Crystal Structure of A Putative Lipoprotein (BF3042) From Bacteroides Fragilis Nctc 9343 at 1.87 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 A Putative Lipoprotein (BF3042) From Bacteroides Fragilis Nctc 9343 at 1.87 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl323

b:36.4
occ:1.00
 CD A:CD302 1.9 29.0 0.6
CD A:CD302 3.3 41.9 0.4
OE1 A:GLU160 3.4 33.7 1.0
N A:THR159 3.8 37.5 1.0
OG1 A:THR159 4.1 44.3 1.0
CB A:THR158 4.1 40.5 1.0
CD A:GLU160 4.3 36.8 1.0
CB A:THR159 4.3 40.5 1.0
OE2 A:GLU160 4.3 42.8 1.0
CA A:THR158 4.3 38.1 1.0
C A:THR158 4.6 38.5 1.0
CA A:THR159 4.7 37.1 1.0
CG2 A:THR158 4.8 35.5 1.0

Chlorine binding site 3 out of 9 in 3nqi

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Chlorine binding site 3 out of 9 in the Crystal Structure of A Putative Lipoprotein (BF3042) From Bacteroides Fragilis Nctc 9343 at 1.87 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 A Putative Lipoprotein (BF3042) From Bacteroides Fragilis Nctc 9343 at 1.87 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl328

b:34.0
occ:1.00
 CD A:CD301 2.5 31.9 1.0
N A:THR65 3.2 28.9 1.0
OD1 A:ASP97 3.2 27.9 1.0
O A:HOH354 3.5 24.5 1.0
N A:LEU66 3.6 29.6 1.0
CA A:VAL64 3.6 30.2 1.0
CG1 A:VAL64 3.6 26.9 1.0
O A:HOH347 3.7 22.4 1.0
CD A:PRO98 3.7 27.4 1.0
O A:HOH356 3.8 23.4 1.0
C A:VAL64 3.8 30.1 1.0
O A:HOH353 3.8 25.5 1.0
CG A:PRO98 4.0 31.2 1.0
OG1 A:THR65 4.0 34.6 1.0
CB A:VAL64 4.0 31.9 1.0
CA A:THR65 4.2 31.4 1.0
CB A:LEU66 4.2 24.6 1.0
C A:THR65 4.2 32.1 1.0
CA A:LEU66 4.4 28.9 1.0
CG2 A:VAL64 4.5 30.0 1.0
CG A:ASP97 4.5 30.0 1.0
O A:PRO63 4.7 31.4 1.0
CB A:PRO98 4.7 29.5 1.0
N A:PRO98 4.7 26.7 1.0
CB A:THR65 4.7 32.3 1.0
N A:VAL64 4.8 33.3 1.0
O A:HOH496 4.8 35.6 1.0

Chlorine binding site 4 out of 9 in 3nqi

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Chlorine binding site 4 out of 9 in the Crystal Structure of A Putative Lipoprotein (BF3042) From Bacteroides Fragilis Nctc 9343 at 1.87 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 A Putative Lipoprotein (BF3042) From Bacteroides Fragilis Nctc 9343 at 1.87 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl320

b:35.5
occ:1.00
 O B:HOH614 3.3 54.4 1.0
ND2 B:ASN60 3.5 28.2 1.0
CB B:ASN60 3.6 30.1 1.0
N B:THR61 3.9 32.9 1.0
N B:ILE62 3.9 30.2 1.0
O B:HOH615 4.0 60.1 1.0
CG B:ASN60 4.0 33.7 1.0
OG1 B:THR61 4.1 37.9 1.0
CA B:ASN60 4.1 31.7 1.0
CG1 B:ILE62 4.2 32.8 1.0
CB B:ILE62 4.3 30.2 1.0
C B:ASN60 4.4 32.4 1.0
CA B:ILE62 4.7 30.4 1.0
CA B:THR61 4.8 33.8 1.0
C B:THR61 4.8 31.9 1.0
O B:ILE62 4.9 28.6 1.0

Chlorine binding site 5 out of 9 in 3nqi

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Chlorine binding site 5 out of 9 in the Crystal Structure of A Putative Lipoprotein (BF3042) From Bacteroides Fragilis Nctc 9343 at 1.87 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 A Putative Lipoprotein (BF3042) From Bacteroides Fragilis Nctc 9343 at 1.87 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl322

b:38.2
occ:1.00
 OG B:SER141 2.9 24.6 1.0
O B:HOH683 2.9 50.8 1.0
OG1 B:THR144 3.0 22.7 1.0
CB B:SER141 3.7 23.8 1.0
NH1 B:ARG69 3.7 53.0 1.0
CB B:THR144 3.8 22.6 1.0
O4 B:PEG331 4.0 59.3 1.0
CD2 B:PHE140 4.1 24.3 1.0
CD B:LYS38 4.2 46.7 1.0
CE2 B:PHE140 4.3 27.9 1.0
SE B:MSE70 4.4 25.2 0.8
CE B:LYS38 4.5 53.5 1.0
NH2 B:ARG69 4.5 27.5 1.0
CG B:LYS38 4.6 32.3 1.0
CZ B:ARG69 4.6 51.2 1.0
CB B:ASN143 4.6 27.0 1.0
N B:THR144 4.7 19.8 1.0
CG2 B:THR144 4.8 19.4 1.0
C4 B:PEG331 4.9 60.7 1.0
CA B:THR144 4.9 21.2 1.0
O2 B:PEG331 4.9 55.3 1.0
CB B:LYS38 5.0 28.6 1.0
C3 B:PEG331 5.0 61.7 1.0

Chlorine binding site 6 out of 9 in 3nqi

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Chlorine binding site 6 out of 9 in the Crystal Structure of A Putative Lipoprotein (BF3042) From Bacteroides Fragilis Nctc 9343 at 1.87 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 A Putative Lipoprotein (BF3042) From Bacteroides Fragilis Nctc 9343 at 1.87 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl325

b:30.6
occ:1.00
 CD B:CD305 2.5 29.9 1.0
N B:THR65 3.3 26.6 1.0
OD1 B:ASP97 3.3 26.5 1.0
O B:HOH357 3.6 23.5 1.0
O B:HOH350 3.6 23.2 1.0
CG1 B:VAL64 3.6 25.7 1.0
N B:LEU66 3.6 28.1 1.0
CA B:VAL64 3.6 27.7 1.0
O B:HOH362 3.7 25.0 1.0
O B:HOH488 3.8 33.9 1.0
CD B:PRO98 3.8 27.1 1.0
C B:VAL64 3.9 27.3 1.0
CB B:VAL64 4.1 29.5 1.0
OG1 B:THR65 4.2 31.6 1.0
CG B:PRO98 4.2 31.4 1.0
CA B:THR65 4.3 28.4 1.0
CB B:LEU66 4.3 26.6 1.0
C B:THR65 4.3 30.1 1.0
CA B:LEU66 4.4 27.4 1.0
CG2 B:VAL64 4.6 27.7 1.0
CG B:ASP97 4.6 28.5 1.0
O B:PRO63 4.7 29.9 1.0
CB B:PRO98 4.7 28.2 1.0
N B:PRO98 4.8 26.4 1.0
O B:HOH448 4.8 31.0 1.0
CB B:THR65 4.9 29.7 1.0
N B:VAL64 4.9 30.6 1.0

Chlorine binding site 7 out of 9 in 3nqi

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Chlorine binding site 7 out of 9 in the Crystal Structure of A Putative Lipoprotein (BF3042) From Bacteroides Fragilis Nctc 9343 at 1.87 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 A Putative Lipoprotein (BF3042) From Bacteroides Fragilis Nctc 9343 at 1.87 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl324

b:47.1
occ:1.00
 CD C:CD313 2.7 49.9 0.5
OE1 C:GLU262 3.1 73.4 1.0
OE2 C:GLU262 3.2 69.9 1.0
NZ C:LYS264 3.4 66.4 1.0
CD C:GLU262 3.5 71.5 1.0
CE C:LYS264 4.5 69.0 1.0
CG C:GLU262 4.8 53.7 1.0

Chlorine binding site 8 out of 9 in 3nqi

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Chlorine binding site 8 out of 9 in the Crystal Structure of A Putative Lipoprotein (BF3042) From Bacteroides Fragilis Nctc 9343 at 1.87 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 A Putative Lipoprotein (BF3042) From Bacteroides Fragilis Nctc 9343 at 1.87 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl326

b:43.4
occ:1.00
 CD C:CD310 2.6 43.0 1.0
N C:THR65 3.2 38.5 1.0
O C:HOH541 3.4 41.9 1.0
O C:HOH408 3.5 36.6 1.0
CG1 C:VAL64 3.5 35.5 1.0
N C:LEU66 3.5 39.0 1.0
OD1 C:ASP97 3.6 39.2 1.0
CA C:VAL64 3.6 39.4 1.0
CD C:PRO98 3.6 37.6 1.0
O C:HOH392 3.7 38.0 1.0
C C:VAL64 3.8 39.5 1.0
OG1 C:THR65 3.9 43.5 1.0
CG C:PRO98 3.9 39.4 1.0
O C:HOH396 4.0 37.8 1.0
CB C:VAL64 4.0 39.8 1.0
CA C:THR65 4.1 40.2 1.0
CB C:LEU66 4.2 35.2 1.0
C C:THR65 4.2 40.6 1.0
CA C:LEU66 4.3 37.9 1.0
CG2 C:VAL64 4.4 38.6 1.0
CB C:PRO98 4.5 36.6 1.0
O C:PRO63 4.7 41.8 1.0
N C:PRO98 4.7 36.5 1.0
CB C:THR65 4.7 42.5 1.0
CG C:ASP97 4.8 38.7 1.0
N C:VAL64 4.9 41.2 1.0

Chlorine binding site 9 out of 9 in 3nqi

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Chlorine binding site 9 out of 9 in the Crystal Structure of A Putative Lipoprotein (BF3042) From Bacteroides Fragilis Nctc 9343 at 1.87 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 A Putative Lipoprotein (BF3042) From Bacteroides Fragilis Nctc 9343 at 1.87 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl327

b:42.9
occ:1.00
 CD D:CD314 2.5 43.1 1.0
N D:THR65 3.2 38.0 1.0
OD1 D:ASP97 3.4 37.7 1.0
N D:LEU66 3.6 39.2 1.0
O D:HOH515 3.6 43.2 1.0
CA D:VAL64 3.6 40.1 1.0
O D:HOH514 3.7 43.2 1.0
CG1 D:VAL64 3.7 39.0 1.0
CD D:PRO98 3.8 39.2 1.0
O D:HOH446 3.8 39.8 1.0
C D:VAL64 3.9 39.2 1.0
CB D:VAL64 4.1 41.9 1.0
CG D:PRO98 4.2 42.9 1.0
CA D:THR65 4.2 38.6 1.0
OG1 D:THR65 4.2 40.2 1.0
CB D:LEU66 4.2 36.2 1.0
C D:THR65 4.3 40.2 1.0
CA D:LEU66 4.4 38.5 1.0
CG2 D:VAL64 4.5 40.2 1.0
CG D:ASP97 4.6 38.2 1.0
O D:PRO63 4.7 41.7 1.0
O D:HOH495 4.7 41.9 1.0
CB D:PRO98 4.8 40.6 1.0
N D:PRO98 4.8 38.3 1.0
N D:VAL64 4.9 41.1 1.0
CB D:THR65 4.9 39.2 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sun Jul 21 01:08:40 2024

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