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Chlorine in PDB 4lr4: Crystal Structure of A Hypothetical Protein (EUBREC_3654) From Eubacterium Rectale at 2.43 A Resolution

Protein crystallography data

The structure of Crystal Structure of A Hypothetical Protein (EUBREC_3654) From Eubacterium Rectale at 2.43 A Resolution, PDB code: 4lr4 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) 48.96 / 2.43
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 98.016, 106.733, 115.078, 90.00, 92.45, 90.00
R / Rfree (%) 18.6 / 21.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Hypothetical Protein (EUBREC_3654) From Eubacterium Rectale at 2.43 A Resolution (pdb code 4lr4). 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 Hypothetical Protein (EUBREC_3654) From Eubacterium Rectale at 2.43 A Resolution, PDB code: 4lr4:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 4lr4

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Chlorine binding site 1 out of 9 in the Crystal Structure of A Hypothetical Protein (EUBREC_3654) From Eubacterium Rectale at 2.43 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 Hypothetical Protein (EUBREC_3654) From Eubacterium Rectale at 2.43 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl408

b:97.1
occ:1.00
 O A:HOH640 3.1 55.2 1.0
OD1 A:ASN346 3.3 68.9 1.0
OG A:SER87 3.4 52.0 1.0
OG A:SER85 3.7 46.8 1.0
CB A:SER87 3.8 46.7 1.0
N A:SER87 4.1 45.5 1.0
O A:HOH671 4.1 73.4 1.0
CB A:SER85 4.2 42.9 1.0
CG A:ASN346 4.4 79.8 1.0
N A:ALA86 4.5 46.5 1.0
CB A:ALA86 4.5 47.7 1.0
CA A:SER87 4.6 45.0 1.0
ND2 A:ASN346 4.6 77.9 1.0
C A:ALA86 4.8 50.4 1.0
CA A:ALA86 4.8 46.2 1.0
O A:HOH555 4.9 42.6 1.0

Chlorine binding site 2 out of 9 in 4lr4

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Chlorine binding site 2 out of 9 in the Crystal Structure of A Hypothetical Protein (EUBREC_3654) From Eubacterium Rectale at 2.43 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 Hypothetical Protein (EUBREC_3654) From Eubacterium Rectale at 2.43 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl406

b:85.3
occ:1.00
 OG B:SER94 3.1 55.6 1.0
O B:HOH575 3.2 47.4 1.0
N B:PHE93 3.8 43.2 1.0
N B:SER94 3.8 46.8 1.0
CB B:SER94 3.9 50.3 1.0
O B:HOH565 4.2 48.3 1.0
CA B:ASN92 4.2 43.1 1.0
CB B:ASN92 4.2 49.4 1.0
OD1 B:ASN92 4.2 62.1 1.0
C B:ASN92 4.3 47.0 1.0
CA B:SER94 4.5 48.2 1.0
CA B:PHE93 4.6 42.0 1.0
CB B:PHE93 4.6 42.0 1.0
CG B:ASN92 4.7 68.6 1.0
C B:PHE93 4.7 48.5 1.0

Chlorine binding site 3 out of 9 in 4lr4

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Chlorine binding site 3 out of 9 in the Crystal Structure of A Hypothetical Protein (EUBREC_3654) From Eubacterium Rectale at 2.43 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 Hypothetical Protein (EUBREC_3654) From Eubacterium Rectale at 2.43 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl410

b:64.8
occ:1.00
 OG C:SER112 3.0 60.5 1.0
O C:HOH642 3.2 53.0 1.0
N C:SER112 3.4 46.5 1.0
CB C:SER112 3.7 51.3 1.0
OH D:TYR196 3.9 46.2 1.0
CB C:THR111 4.1 39.2 1.0
CA C:SER112 4.2 47.4 1.0
CE1 D:TYR196 4.3 32.9 1.0
CA C:THR111 4.3 39.3 1.0
C C:THR111 4.4 47.5 1.0
CZ D:TYR196 4.4 43.1 1.0
O C:HOH519 4.7 32.1 1.0
O D:HOH512 4.8 31.8 1.0
CG2 C:THR111 4.9 28.7 1.0

Chlorine binding site 4 out of 9 in 4lr4

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Chlorine binding site 4 out of 9 in the Crystal Structure of A Hypothetical Protein (EUBREC_3654) From Eubacterium Rectale at 2.43 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 Hypothetical Protein (EUBREC_3654) From Eubacterium Rectale at 2.43 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl411

b:77.4
occ:1.00
 O C:HOH687 2.7 39.5 1.0
N C:ALA109 3.6 37.5 1.0
CA C:TYR108 3.9 38.1 1.0
CD1 C:TYR108 4.0 39.9 1.0
CB C:TYR108 4.1 37.6 1.0
O C:HOH564 4.2 40.1 1.0
C C:TYR108 4.3 41.2 1.0
CB C:ALA109 4.3 37.5 1.0
CA C:ALA109 4.5 37.2 1.0
CG C:TYR108 4.5 38.0 1.0
O C:ALA109 4.6 38.4 1.0
NH2 C:ARG135 4.6 40.4 1.0
O C:HOH698 4.7 50.2 1.0
O C:HOH686 4.8 22.5 1.0
CZ C:ARG135 4.9 43.9 1.0
CE1 C:TYR108 4.9 39.3 1.0

Chlorine binding site 5 out of 9 in 4lr4

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Chlorine binding site 5 out of 9 in the Crystal Structure of A Hypothetical Protein (EUBREC_3654) From Eubacterium Rectale at 2.43 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 Hypothetical Protein (EUBREC_3654) From Eubacterium Rectale at 2.43 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl412

b:0.8
occ:1.00
 O C:HOH638 3.2 50.6 1.0
NZ C:LYS331 3.4 77.1 1.0
OD1 C:ASP318 3.5 47.0 1.0
O2 C:GOL403 3.8 64.7 1.0
OE1 C:GLN334 4.0 64.7 1.0
O C:HOH626 4.2 50.6 1.0
CE C:LYS331 4.2 62.8 1.0
NE2 C:GLN334 4.5 44.8 1.0
CD C:GLN334 4.5 69.1 1.0
O C:ILE317 4.6 45.3 1.0
CB C:SER316 4.7 47.5 1.0
CG C:ASP318 4.7 49.3 1.0
OG C:SER316 4.8 55.6 1.0
O C:HOH532 4.9 33.4 1.0
O1 C:GOL403 5.0 59.1 1.0

Chlorine binding site 6 out of 9 in 4lr4

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Chlorine binding site 6 out of 9 in the Crystal Structure of A Hypothetical Protein (EUBREC_3654) From Eubacterium Rectale at 2.43 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 Hypothetical Protein (EUBREC_3654) From Eubacterium Rectale at 2.43 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl407

b:82.2
occ:1.00
 O1 D:GOL401 2.9 61.1 1.0
OG D:SER94 3.1 62.8 1.0
O D:HOH628 3.2 53.6 1.0
N D:PHE93 3.8 40.5 1.0
OD1 D:ASN92 3.8 73.2 1.0
CB D:ASN92 3.8 47.5 1.0
N D:SER94 3.9 45.6 1.0
CA D:ASN92 3.9 41.9 1.0
CB D:SER94 4.0 51.2 1.0
C D:ASN92 4.2 44.7 1.0
CG D:ASN92 4.2 70.8 1.0
C1 D:GOL401 4.3 59.8 1.0
CA D:SER94 4.6 47.3 1.0
CA D:PHE93 4.6 39.7 1.0
CB D:PHE93 4.7 40.9 1.0
C D:PHE93 4.8 46.3 1.0

Chlorine binding site 7 out of 9 in 4lr4

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Chlorine binding site 7 out of 9 in the Crystal Structure of A Hypothetical Protein (EUBREC_3654) From Eubacterium Rectale at 2.43 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 Hypothetical Protein (EUBREC_3654) From Eubacterium Rectale at 2.43 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl408

b:86.2
occ:1.00
 NZ D:LYS267 3.5 0.8 1.0
CE D:LYS267 4.5 0.1 1.0

Chlorine binding site 8 out of 9 in 4lr4

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Chlorine binding site 8 out of 9 in the Crystal Structure of A Hypothetical Protein (EUBREC_3654) From Eubacterium Rectale at 2.43 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 Hypothetical Protein (EUBREC_3654) From Eubacterium Rectale at 2.43 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl409

b:86.0
occ:1.00
 O D:HOH548 3.0 41.8 1.0
NE2 D:GLN334 3.6 78.8 1.0
NE1 D:TRP338 3.9 60.1 1.0
CD1 D:TRP338 4.0 58.7 1.0
CE2 D:TRP338 4.2 61.5 1.0
O D:SER315 4.3 71.7 1.0
CG D:TRP338 4.5 54.3 1.0
CB D:SER316 4.5 66.9 1.0
CD2 D:TRP338 4.6 55.1 1.0
N D:TRP338 4.6 53.7 1.0
O D:HOH617 4.7 50.3 1.0
CD D:GLN334 4.8 93.5 1.0
CZ2 D:TRP338 4.8 62.3 1.0
CA D:SER316 4.8 63.6 1.0
C D:GLY337 4.9 57.0 1.0
O D:HOH603 5.0 53.4 1.0

Chlorine binding site 9 out of 9 in 4lr4

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Chlorine binding site 9 out of 9 in the Crystal Structure of A Hypothetical Protein (EUBREC_3654) From Eubacterium Rectale at 2.43 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 Hypothetical Protein (EUBREC_3654) From Eubacterium Rectale at 2.43 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl410

b:81.5
occ:1.00
 OG D:SER112 2.8 66.8 1.0
O C:HOH685 2.8 42.4 1.0
N D:SER112 3.6 54.3 1.0
CB D:THR111 3.8 50.3 1.0
OE1 D:GLU113 3.8 89.6 1.0
CB D:SER112 3.9 59.5 1.0
CD D:GLU113 3.9 86.7 1.0
OE2 D:GLU113 4.0 76.9 1.0
O3 C:PO4408 4.1 45.6 0.5
O D:HOH504 4.2 30.4 1.0
CA D:SER112 4.3 54.9 1.0
OH C:TYR196 4.3 41.1 1.0
OG1 D:THR111 4.3 54.0 1.0
CA D:THR111 4.5 49.0 1.0
C D:THR111 4.5 56.4 1.0
N D:GLU113 4.5 50.1 1.0
CG2 D:THR111 4.6 42.1 1.0
O C:HOH516 4.6 30.6 1.0
CG D:GLU113 4.7 58.9 1.0
C D:SER112 4.8 57.5 1.0
O1 C:PO4408 4.9 41.4 0.5
O C:HOH507 4.9 29.0 1.0
CE1 C:TYR196 5.0 35.6 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sun Jul 21 19:12:50 2024

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