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Chlorine in PDB 5cai: Crystal Structure of A Putative Lipoprotein From the DUF903 Family (KPN_03160) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.30 A Resolution

Protein crystallography data

The structure of Crystal Structure of A Putative Lipoprotein From the DUF903 Family (KPN_03160) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.30 A Resolution, PDB code: 5cai 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) 29.71 / 2.30
Space group I 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 108.210, 108.210, 142.190, 90.00, 90.00, 90.00
R / Rfree (%) 18.1 / 21.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Putative Lipoprotein From the DUF903 Family (KPN_03160) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.30 A Resolution (pdb code 5cai). 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 From the DUF903 Family (KPN_03160) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.30 A Resolution, PDB code: 5cai:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 5cai

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Chlorine binding site 1 out of 9 in the Crystal Structure of A Putative Lipoprotein From the DUF903 Family (KPN_03160) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.30 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 From the DUF903 Family (KPN_03160) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.30 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl101

b:60.1
occ:1.00
 O A:HOH215 3.1 41.0 1.0
O F:HOH203 3.2 36.4 1.0
N A:ASN46 3.2 21.9 1.0
ND2 A:ASN46 3.4 19.0 1.0
CG A:ASN46 3.6 32.9 1.0
CB A:ASN46 3.8 19.9 1.0
CA A:ASP45 3.8 19.7 1.0
OD2 A:ASP45 3.9 32.9 1.0
C A:ASP45 4.0 24.5 1.0
NE2 A:GLN43 4.1 69.1 0.5
CA A:ASN46 4.1 22.1 1.0
CG A:ASP45 4.1 27.6 1.0
OD1 A:ASN46 4.1 30.8 1.0
OD1 F:ASP47 4.3 31.0 1.0
O A:THR44 4.3 27.7 1.0
CB A:ASP45 4.5 21.0 1.0
OE1 C:GLN43 4.5 63.8 1.0
OD1 A:ASP45 4.6 27.8 1.0
N A:ASP45 4.9 20.1 1.0
NZ E:LYS41 4.9 33.9 1.0
O A:HOH216 5.0 55.0 1.0

Chlorine binding site 2 out of 9 in 5cai

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Chlorine binding site 2 out of 9 in the Crystal Structure of A Putative Lipoprotein From the DUF903 Family (KPN_03160) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.30 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 From the DUF903 Family (KPN_03160) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.30 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl102

b:66.3
occ:1.00
 NH1 A:ARG65 3.2 25.9 1.0
O A:HOH223 3.2 34.2 1.0
O B:HOH229 3.4 35.7 1.0
O B:HOH203 3.8 45.3 1.0
OG A:SER66 3.8 50.6 1.0
CD A:ARG65 3.8 22.2 1.0
CB A:ARG65 3.9 24.0 1.0
O A:HOH231 4.1 57.5 1.0
CG A:ARG65 4.3 22.7 1.0
CZ A:ARG65 4.3 39.6 1.0
N A:SER66 4.4 28.7 1.0
NE A:ARG65 4.5 28.8 1.0
O E:HOH246 4.8 57.3 1.0
C A:ARG65 4.8 31.0 1.0
O A:HOH221 4.9 35.8 1.0
CA A:ARG65 4.9 24.8 1.0
O A:HOH213 5.0 24.6 1.0
CA A:SER66 5.0 30.3 1.0
CB A:SER66 5.0 34.9 1.0

Chlorine binding site 3 out of 9 in 5cai

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Chlorine binding site 3 out of 9 in the Crystal Structure of A Putative Lipoprotein From the DUF903 Family (KPN_03160) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.30 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 From the DUF903 Family (KPN_03160) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.30 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl101

b:69.7
occ:1.00
 O C:HOH205 3.1 42.0 1.0
N B:ASN46 3.5 21.4 1.0
O B:HOH211 3.5 35.6 1.0
ND2 B:ASN46 3.5 22.8 1.0
CG B:ASN46 3.8 34.9 1.0
NE2 D:GLN43 4.0 62.1 0.5
CA B:ASP45 4.0 20.0 1.0
CB B:ASN46 4.0 24.9 1.0
OD2 B:ASP45 4.2 28.4 1.0
OD1 C:ASP47 4.2 29.4 1.0
C B:ASP45 4.3 23.0 1.0
OE1 D:GLN43 4.3 62.0 0.5
CD D:GLN43 4.3 65.8 0.5
OD1 B:ASN46 4.3 31.5 1.0
O B:THR44 4.4 28.8 1.0
O B:HOH205 4.4 41.6 1.0
CA B:ASN46 4.4 22.4 1.0
CG B:ASP45 4.4 27.8 1.0
OE1 D:GLN43 4.6 63.8 0.5
CB B:ASP45 4.7 21.6 1.0
OD1 B:ASP45 4.9 29.3 1.0
N B:ASP45 5.0 21.0 1.0
OE1 B:GLN43 5.0 58.3 1.0
O B:HOH208 5.0 42.8 1.0

Chlorine binding site 4 out of 9 in 5cai

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Chlorine binding site 4 out of 9 in the Crystal Structure of A Putative Lipoprotein From the DUF903 Family (KPN_03160) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.30 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 From the DUF903 Family (KPN_03160) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.30 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl102

b:71.2
occ:1.00
 O B:HOH229 3.0 35.7 1.0
NH1 B:ARG65 3.1 23.7 1.0
CB B:ARG65 3.9 19.1 1.0
CD B:ARG65 3.9 25.5 1.0
CZ B:ARG65 4.2 42.4 1.0
CG B:ARG65 4.3 25.4 1.0
O A:HOH231 4.4 57.5 1.0
N B:SER66 4.5 26.3 1.0
NE B:ARG65 4.5 34.3 1.0
O B:HOH203 4.6 45.3 1.0
O B:HOH219 4.8 29.9 1.0
CA B:ARG65 4.9 21.4 1.0
C B:ARG65 4.9 28.4 1.0
OD1 B:ASN64 4.9 46.1 1.0
CB B:SER66 4.9 31.8 1.0

Chlorine binding site 5 out of 9 in 5cai

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Chlorine binding site 5 out of 9 in the Crystal Structure of A Putative Lipoprotein From the DUF903 Family (KPN_03160) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.30 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 From the DUF903 Family (KPN_03160) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.30 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl101

b:74.2
occ:1.00
 N C:ASN46 3.0 21.6 1.0
O B:HOH204 3.1 37.9 1.0
O C:HOH204 3.4 34.8 1.0
ND2 C:ASN46 3.5 21.7 1.0
CG C:ASN46 3.5 36.1 1.0
CB C:ASN46 3.7 27.1 1.0
CA C:ASP45 3.7 20.2 1.0
C C:ASP45 3.9 24.9 1.0
OD2 C:ASP45 3.9 32.5 1.0
CA C:ASN46 4.0 22.3 1.0
OD1 C:ASN46 4.0 34.9 1.0
CG C:ASP45 4.1 24.6 1.0
OD1 B:ASP47 4.1 36.8 1.0
O C:THR44 4.2 23.5 1.0
NE2 A:GLN43 4.3 60.4 0.5
OE1 A:GLN43 4.4 54.9 0.5
CB C:ASP45 4.4 21.0 1.0
OD1 C:ASP45 4.5 21.6 1.0
CD A:GLN43 4.6 62.1 0.5
O C:HOH208 4.7 49.6 1.0
N C:ASP45 4.7 20.9 1.0
C C:THR44 4.9 24.1 1.0
NZ D:LYS41 4.9 30.6 1.0
N C:ASP47 5.0 22.5 1.0

Chlorine binding site 6 out of 9 in 5cai

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Chlorine binding site 6 out of 9 in the Crystal Structure of A Putative Lipoprotein From the DUF903 Family (KPN_03160) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.30 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 From the DUF903 Family (KPN_03160) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.30 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl101

b:63.5
occ:1.00
 N D:ASN46 3.2 19.9 1.0
ND2 D:ASN46 3.5 19.9 1.0
O D:HOH204 3.5 37.3 1.0
CG D:ASN46 3.6 34.0 1.0
CA D:ASP45 3.7 19.3 1.0
CB D:ASN46 3.9 24.3 1.0
C D:ASP45 3.9 22.8 1.0
OD2 D:ASP45 4.0 28.7 1.0
OD1 D:ASN46 4.0 31.3 1.0
O D:THR44 4.0 23.2 1.0
CA D:ASN46 4.2 20.7 1.0
CG D:ASP45 4.2 20.9 1.0
OE1 B:GLN43 4.3 58.3 1.0
OE1 D:GLN43 4.5 63.8 0.5
CB D:ASP45 4.5 20.4 1.0
OD1 D:ASP45 4.6 21.4 1.0
O B:HOH208 4.6 42.8 1.0
N D:ASP45 4.7 18.7 1.0
C D:THR44 4.8 22.5 1.0
CD D:GLN43 5.0 63.8 0.5

Chlorine binding site 7 out of 9 in 5cai

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Chlorine binding site 7 out of 9 in the Crystal Structure of A Putative Lipoprotein From the DUF903 Family (KPN_03160) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.30 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 From the DUF903 Family (KPN_03160) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.30 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl101

b:70.6
occ:1.00
 O E:HOH214 2.9 50.7 1.0
N E:ASN46 3.2 18.6 1.0
ND2 E:ASN46 3.3 19.2 1.0
CG E:ASN46 3.5 34.4 1.0
CA E:ASP45 3.8 18.5 1.0
CB E:ASN46 3.8 18.3 1.0
OD2 E:ASP45 4.0 28.0 1.0
C E:ASP45 4.0 21.6 1.0
OD1 E:ASN46 4.1 26.5 1.0
CA E:ASN46 4.1 18.4 1.0
CG E:ASP45 4.2 22.8 1.0
NE2 F:GLN43 4.2 52.9 0.5
O E:THR44 4.2 25.6 1.0
OE1 F:GLN43 4.2 57.8 0.5
CD F:GLN43 4.4 62.1 0.5
CB E:ASP45 4.5 20.1 1.0
OE1 F:GLN43 4.5 23.3 0.5
OD1 E:ASP45 4.6 25.5 1.0
N E:ASP45 4.8 20.1 1.0
O F:HOH213 4.8 49.8 1.0
OG E:SER52 4.9 23.5 0.5
C E:THR44 4.9 24.7 1.0
OE1 E:GLN43 4.9 55.2 1.0
O F:HOH244 5.0 49.5 1.0

Chlorine binding site 8 out of 9 in 5cai

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Chlorine binding site 8 out of 9 in the Crystal Structure of A Putative Lipoprotein From the DUF903 Family (KPN_03160) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.30 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 From the DUF903 Family (KPN_03160) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.30 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl101

b:69.2
occ:1.00
 ND2 F:ASN46 3.5 21.4 1.0
N F:ASN46 3.8 18.0 1.0
CG F:ASN46 3.9 33.0 1.0
OE1 E:GLN43 4.0 55.2 1.0
O F:THR44 4.0 22.4 1.0
O A:HOH202 4.0 42.4 1.0
CA F:ASP45 4.1 19.2 1.0
CD F:GLN43 4.1 34.4 0.5
OE1 F:GLN43 4.2 57.8 0.5
OE1 F:GLN43 4.2 23.3 0.5
OD1 F:ASN46 4.2 31.0 1.0
O F:HOH225 4.3 58.7 1.0
NE2 F:GLN43 4.3 34.2 0.5
CB F:ASN46 4.4 23.0 1.0
CG F:GLN43 4.5 24.6 0.5
C F:ASP45 4.5 22.0 1.0
OD2 F:ASP45 4.6 29.0 1.0
CA F:ASN46 4.8 19.2 1.0
CG F:ASP45 4.8 20.9 1.0
C F:THR44 4.8 23.1 1.0
OD1 A:ASP47 4.9 30.7 1.0
N F:ASP45 4.9 19.2 1.0
CB F:ASP45 5.0 20.2 1.0

Chlorine binding site 9 out of 9 in 5cai

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Chlorine binding site 9 out of 9 in the Crystal Structure of A Putative Lipoprotein From the DUF903 Family (KPN_03160) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.30 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 From the DUF903 Family (KPN_03160) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.30 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl102

b:77.5
occ:1.00
 O F:HOH239 3.1 32.3 1.0
NH1 F:ARG65 3.1 28.4 1.0
CD F:ARG65 3.9 17.5 1.0
O F:HOH245 4.0 48.0 1.0
OG F:SER66 4.0 40.2 1.0
CB F:ARG65 4.1 17.8 1.0
CZ F:ARG65 4.3 32.6 1.0
CG F:ARG65 4.4 22.1 1.0
NE F:ARG65 4.5 24.9 1.0
N F:SER66 4.7 21.4 1.0
O F:HOH238 4.8 22.5 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sat Dec 12 11:34:45 2020

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