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Chlorine in PDB 4ib2: Crystal Structure of A Putative Lipoprotein (RUMGNA_00858) From Ruminococcus Gnavus Atcc 29149 at 1.76 A Resolution

Protein crystallography data

The structure of Crystal Structure of A Putative Lipoprotein (RUMGNA_00858) From Ruminococcus Gnavus Atcc 29149 at 1.76 A Resolution, PDB code: 4ib2 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) 40.88 / 1.76
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 40.099, 52.454, 54.908, 99.81, 87.50, 94.96
R / Rfree (%) 16.2 / 18.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Putative Lipoprotein (RUMGNA_00858) From Ruminococcus Gnavus Atcc 29149 at 1.76 A Resolution (pdb code 4ib2). 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 (RUMGNA_00858) From Ruminococcus Gnavus Atcc 29149 at 1.76 A Resolution, PDB code: 4ib2:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 4ib2

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Chlorine binding site 1 out of 9 in the Crystal Structure of A Putative Lipoprotein (RUMGNA_00858) From Ruminococcus Gnavus Atcc 29149 at 1.76 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 (RUMGNA_00858) From Ruminococcus Gnavus Atcc 29149 at 1.76 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:29.8
occ:1.00
 O A:HOH447 2.6 24.1 1.0
N A:ALA190 3.0 17.3 1.0
OH A:TYR208 3.1 16.2 1.0
CB A:ALA190 3.4 18.6 1.0
CG A:GLU188 3.5 25.4 1.0
OE2 A:GLU188 3.6 29.1 1.0
N A:TYR74 3.7 13.2 1.0
CZ A:TYR208 3.7 17.9 1.0
CE2 A:TYR208 3.7 12.5 1.0
CA A:ALA190 3.7 17.1 1.0
N A:ALA189 3.8 16.6 1.0
CB A:ALA189 3.8 16.3 1.0
CD A:GLU188 3.8 40.1 1.0
CA A:ASP73 3.9 15.4 1.0
CG A:TYR74 3.9 12.7 1.0
C A:ALA189 3.9 20.1 1.0
CA A:ALA189 4.0 16.0 1.0
O A:HOH450 4.0 26.2 1.0
CD2 A:TYR74 4.0 13.7 1.0
C A:ASP73 4.1 18.0 1.0
CB A:TYR74 4.1 13.9 1.0
C A:GLU188 4.4 18.7 1.0
CD1 A:TYR74 4.4 12.5 1.0
O A:ASP72 4.4 24.2 1.0
CB A:ASP73 4.5 17.4 1.0
CA A:TYR74 4.6 12.6 1.0
CE2 A:TYR74 4.6 13.4 1.0
CB A:GLU188 4.6 18.7 1.0
OE1 A:GLU188 4.7 38.2 1.0
O A:HOH408 4.8 15.3 1.0
CE1 A:TYR208 4.8 16.9 1.0
CD2 A:TYR208 4.9 13.7 1.0
CE1 A:TYR74 4.9 15.0 1.0
CA A:GLU188 4.9 17.1 1.0

Chlorine binding site 2 out of 9 in 4ib2

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Chlorine binding site 2 out of 9 in the Crystal Structure of A Putative Lipoprotein (RUMGNA_00858) From Ruminococcus Gnavus Atcc 29149 at 1.76 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 (RUMGNA_00858) From Ruminococcus Gnavus Atcc 29149 at 1.76 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:38.0
occ:1.00
 N A:LEU129 3.0 16.9 1.0
OG A:SER128 3.6 26.0 1.0
CB A:LEU129 3.7 18.0 1.0
CA A:SER128 3.7 14.3 1.0
C A:SER128 3.8 17.8 1.0
CB A:LEU221 3.8 14.9 1.0
CA A:LEU129 3.9 17.9 1.0
CG A:LEU129 4.1 23.2 1.0
CD2 A:LEU221 4.1 21.8 1.0
CB A:SER128 4.2 20.0 1.0
O A:LEU221 4.3 17.1 1.0
CG A:LEU221 4.3 18.4 1.0
CA A:LEU221 4.4 14.5 1.0
CD1 A:LEU221 4.4 18.1 1.0
N A:ASP130 4.5 18.3 1.0
CD1 A:LEU129 4.5 23.9 1.0
C A:LEU221 4.7 18.3 1.0
C A:LEU129 4.7 21.5 1.0
O A:LYS127 5.0 22.8 1.0

Chlorine binding site 3 out of 9 in 4ib2

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Chlorine binding site 3 out of 9 in the Crystal Structure of A Putative Lipoprotein (RUMGNA_00858) From Ruminococcus Gnavus Atcc 29149 at 1.76 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 (RUMGNA_00858) From Ruminococcus Gnavus Atcc 29149 at 1.76 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:48.5
occ:1.00
 N A:ILE184 3.2 19.7 1.0
O A:VAL182 3.8 21.4 1.0
CA A:GLU183 3.8 21.2 1.0
CB A:ILE184 3.9 22.8 1.0
O A:HOH539 3.9 37.9 0.5
C A:GLU183 4.0 23.6 1.0
CG1 A:ILE184 4.1 22.8 1.0
CA A:ILE184 4.1 19.8 1.0
O A:HOH457 4.2 59.2 1.0
O A:ILE184 4.3 22.1 1.0
C A:VAL182 4.7 22.2 1.0
CG A:GLU183 4.7 32.0 1.0
C A:ILE184 4.7 22.8 1.0
N A:GLU183 4.7 21.1 1.0
CB A:GLU183 4.8 22.8 1.0
CG1 A:VAL172 5.0 29.4 1.0

Chlorine binding site 4 out of 9 in 4ib2

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Chlorine binding site 4 out of 9 in the Crystal Structure of A Putative Lipoprotein (RUMGNA_00858) From Ruminococcus Gnavus Atcc 29149 at 1.76 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 (RUMGNA_00858) From Ruminococcus Gnavus Atcc 29149 at 1.76 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:26.2
occ:1.00
 O A:HOH471 2.9 26.5 1.0
N A:LYS137 3.1 14.8 1.0
O A:HOH468 3.1 28.1 1.0
N A:ALA200 3.5 19.7 1.0
CB A:LYS137 3.6 16.3 1.0
CG A:LYS137 3.8 16.9 1.0
CA A:LYS137 3.9 13.7 1.0
CB A:ALA200 4.0 19.1 1.0
CA A:ASP136 4.0 15.2 1.0
C A:ASP136 4.1 19.5 1.0
C A:THR199 4.2 21.1 1.0
CA A:ALA200 4.2 18.0 1.0
CA A:THR199 4.2 16.9 1.0
CD A:LYS137 4.2 23.1 1.0
OD1 A:ASP136 4.3 22.9 1.0
O A:LYS137 4.3 15.4 1.0
O A:GLU198 4.6 24.1 1.0
C A:LYS137 4.6 17.0 1.0
O A:GLY135 4.7 23.1 1.0
CB A:ASP136 4.7 16.0 1.0
OG1 A:THR125 4.8 23.6 1.0
O A:HOH550 4.9 38.4 1.0
CG A:ASP136 4.9 20.3 1.0
O A:HOH442 5.0 30.8 1.0
CE A:LYS137 5.0 32.0 1.0

Chlorine binding site 5 out of 9 in 4ib2

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Chlorine binding site 5 out of 9 in the Crystal Structure of A Putative Lipoprotein (RUMGNA_00858) From Ruminococcus Gnavus Atcc 29149 at 1.76 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 (RUMGNA_00858) From Ruminococcus Gnavus Atcc 29149 at 1.76 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:56.2
occ:1.00
 N B:TYR223 3.3 29.6 1.0
O B:TYR223 3.4 28.9 1.0
CA B:ALA222 3.9 28.0 1.0
C B:ALA222 4.1 30.9 1.0
CD1 B:TYR223 4.2 37.9 1.0
C B:TYR223 4.2 29.1 1.0
CA B:TYR223 4.3 27.9 1.0
CG B:TYR223 4.3 34.8 1.0
CE1 B:TYR223 4.4 41.0 1.0
O B:HOH427 4.5 33.8 1.0
CB B:ALA222 4.6 29.4 1.0
CD2 B:TYR223 4.8 37.8 1.0
CB B:TYR223 4.9 29.6 1.0
CZ B:TYR223 4.9 52.1 1.0

Chlorine binding site 6 out of 9 in 4ib2

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Chlorine binding site 6 out of 9 in the Crystal Structure of A Putative Lipoprotein (RUMGNA_00858) From Ruminococcus Gnavus Atcc 29149 at 1.76 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 (RUMGNA_00858) From Ruminococcus Gnavus Atcc 29149 at 1.76 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:68.7
occ:1.00
 N B:ILE184 3.0 34.1 1.0
CA B:GLU183 3.7 36.3 1.0
CB B:ILE184 3.8 35.7 1.0
O B:VAL182 3.8 39.5 1.0
C B:GLU183 3.8 36.8 1.0
CA B:ILE184 3.9 32.5 1.0
CG1 B:ILE184 4.0 36.8 1.0
O B:ILE184 4.1 36.2 1.0
C B:ILE184 4.5 35.5 1.0
CG B:GLU183 4.5 46.7 1.0
C B:VAL182 4.6 39.9 1.0
CB B:GLU183 4.6 37.7 1.0
N B:GLU183 4.6 36.6 1.0

Chlorine binding site 7 out of 9 in 4ib2

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Chlorine binding site 7 out of 9 in the Crystal Structure of A Putative Lipoprotein (RUMGNA_00858) From Ruminococcus Gnavus Atcc 29149 at 1.76 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 (RUMGNA_00858) From Ruminococcus Gnavus Atcc 29149 at 1.76 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl303

b:40.4
occ:1.00
 O B:HOH496 2.8 38.2 1.0
O B:HOH431 2.9 30.4 1.0
N B:LYS137 3.1 30.4 1.0
CB B:LYS137 3.5 29.6 1.0
N B:ALA200 3.7 26.2 1.0
CG B:LYS137 3.7 30.5 1.0
CA B:LYS137 3.9 28.5 1.0
CA B:ASP136 3.9 32.7 1.0
C B:ASP136 4.0 35.1 1.0
CB B:ALA200 4.1 26.8 1.0
CD B:LYS137 4.1 35.9 1.0
OD1 B:ASP136 4.3 35.1 1.0
CA B:ALA200 4.4 25.2 1.0
C B:THR199 4.4 28.4 1.0
CA B:THR199 4.4 25.4 1.0
O B:LYS137 4.4 27.0 1.0
O B:GLY135 4.5 39.1 1.0
CB B:ASP136 4.7 33.6 1.0
C B:LYS137 4.7 30.2 1.0
O B:GLU198 4.7 29.5 1.0
O B:HOH471 4.8 33.4 1.0
CE B:LYS137 4.9 45.8 1.0
O B:HOH410 4.9 31.6 1.0
OG1 B:THR125 4.9 29.8 1.0
CG B:ASP136 4.9 36.5 1.0
N B:ASP136 5.0 35.0 1.0

Chlorine binding site 8 out of 9 in 4ib2

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Chlorine binding site 8 out of 9 in the Crystal Structure of A Putative Lipoprotein (RUMGNA_00858) From Ruminococcus Gnavus Atcc 29149 at 1.76 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 (RUMGNA_00858) From Ruminococcus Gnavus Atcc 29149 at 1.76 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:49.4
occ:1.00
 N B:LEU129 3.0 30.4 1.0
CA B:SER128 3.6 28.1 0.5
CA B:SER128 3.6 28.7 0.5
CB B:SER128 3.7 33.1 0.5
CB B:SER128 3.8 35.4 0.5
C B:SER128 3.8 32.3 1.0
CB B:LEU129 3.8 31.3 1.0
CB B:LEU221 3.9 26.1 1.0
CD2 B:LEU221 4.0 28.1 1.0
CA B:LEU129 4.0 31.4 1.0
CG B:LEU129 4.2 34.4 1.0
CG B:LEU221 4.3 29.4 1.0
CD1 B:LEU221 4.4 30.7 1.0
OG B:SER128 4.4 46.3 0.5
CA B:LEU221 4.4 26.1 1.0
O B:LEU221 4.4 30.8 1.0
N B:ASP130 4.6 33.8 1.0
CD1 B:LEU129 4.7 35.8 1.0
C B:LEU221 4.8 31.9 1.0
O B:LYS127 4.9 31.4 1.0
C B:LEU129 4.9 37.2 1.0
OG B:SER128 4.9 37.4 0.5
N B:SER128 4.9 28.3 1.0

Chlorine binding site 9 out of 9 in 4ib2

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Chlorine binding site 9 out of 9 in the Crystal Structure of A Putative Lipoprotein (RUMGNA_00858) From Ruminococcus Gnavus Atcc 29149 at 1.76 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 (RUMGNA_00858) From Ruminococcus Gnavus Atcc 29149 at 1.76 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl305

b:30.1
occ:1.00
 OH B:TYR208 3.2 19.3 1.0
N B:ALA190 3.2 21.8 1.0
OE2 B:GLU188 3.5 50.1 1.0
CG B:GLU188 3.5 38.7 1.0
O B:HOH401 3.5 14.9 0.5
N B:TYR74 3.5 19.6 1.0
CB B:ALA190 3.5 23.6 1.0
CD B:GLU188 3.8 58.5 1.0
CZ B:TYR208 3.8 19.2 1.0
CG B:TYR74 3.8 18.7 1.0
CA B:ASP73 3.8 23.2 1.0
CE2 B:TYR208 3.8 17.3 1.0
CB B:ALA189 3.9 18.5 1.0
N B:ALA189 3.9 20.1 1.0
CA B:ALA190 4.0 22.2 1.0
CD2 B:TYR74 4.0 19.2 1.0
CB B:TYR74 4.0 19.3 1.0
C B:ASP73 4.0 25.0 1.0
C B:ALA189 4.1 22.3 1.0
CA B:ALA189 4.2 18.8 1.0
CD1 B:TYR74 4.3 19.4 1.0
CB B:ASP73 4.4 25.9 1.0
CA B:TYR74 4.4 18.3 1.0
O B:ASP72 4.5 32.5 1.0
C B:GLU188 4.5 24.5 1.0
CE2 B:TYR74 4.6 19.6 1.0
CB B:GLU188 4.7 26.9 1.0
OE1 B:GLU188 4.7 39.4 1.0
O B:HOH412 4.8 24.4 1.0
CE1 B:TYR74 4.9 16.0 1.0
CE1 B:TYR208 4.9 19.5 1.0
N B:ASP73 5.0 24.1 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sun Jul 21 16:30:40 2024

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