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Chlorine in PDB 5d74: The Crystal Structure of LY7917

Protein crystallography data

The structure of The Crystal Structure of LY7917, PDB code: 5d74 was solved by L.Wu, W.H.Ji, J.H.Sun, J.H.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.64 / 1.90
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 70.009, 97.701, 174.668, 90.00, 90.00, 90.00
R / Rfree (%) 19.6 / 23.4

Other elements in 5d74:

The structure of The Crystal Structure of LY7917 also contains other interesting chemical elements:

Sodium (Na) 7 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of LY7917 (pdb code 5d74). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the The Crystal Structure of LY7917, PDB code: 5d74:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 5d74

Go back to Chlorine Binding Sites List in 5d74
Chlorine binding site 1 out of 6 in the The Crystal Structure of LY7917


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of LY7917 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:24.5
occ:1.00
N B:ASP112 3.2 18.8 1.0
OG A:SER53 3.4 25.4 1.0
CG1 A:VAL52 3.4 36.9 1.0
N A:SER53 3.6 27.7 1.0
N A:VAL52 3.6 34.9 1.0
CB A:SER53 3.8 31.0 1.0
CD1 A:TRP51 3.8 16.3 1.0
CB B:ASP112 3.8 24.6 1.0
CA B:GLY111 4.0 27.0 1.0
CB A:TRP51 4.0 19.6 1.0
CA B:ASP112 4.1 21.3 1.0
CA A:TRP51 4.1 21.0 1.0
O B:ASP110 4.1 19.2 1.0
C B:GLY111 4.1 24.4 1.0
C A:TRP51 4.1 24.9 1.0
CG A:TRP51 4.3 16.2 1.0
CA A:SER53 4.3 32.5 1.0
N B:ARG113 4.4 18.9 1.0
CA A:VAL52 4.4 33.7 1.0
C A:VAL52 4.5 26.5 1.0
CB A:VAL52 4.5 33.9 1.0
C B:ASP112 4.6 17.4 1.0
N B:GLY111 4.9 26.6 1.0
C B:ASP110 4.9 22.9 1.0
NE1 A:TRP51 5.0 21.8 1.0

Chlorine binding site 2 out of 6 in 5d74

Go back to Chlorine Binding Sites List in 5d74
Chlorine binding site 2 out of 6 in the The Crystal Structure of LY7917


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of LY7917 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:24.9
occ:1.00
O A:HOH438 3.2 29.8 1.0
N A:ARG223 3.2 18.8 1.0
CG2 A:ILE222 3.7 24.7 1.0
CB A:ARG223 3.8 24.1 1.0
CA A:ILE222 4.0 23.5 1.0
C A:ILE222 4.1 19.7 1.0
CA A:ARG223 4.1 22.8 1.0
CD1 A:ILE222 4.3 21.2 1.0
CB A:ILE222 4.4 24.5 1.0
O A:ARG223 4.7 24.1 1.0
O A:GLY221 4.8 28.0 1.0
C A:ARG223 4.9 20.4 1.0
CG1 A:ILE222 5.0 30.0 1.0

Chlorine binding site 3 out of 6 in 5d74

Go back to Chlorine Binding Sites List in 5d74
Chlorine binding site 3 out of 6 in the The Crystal Structure of LY7917


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of LY7917 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:46.0
occ:1.00
ND2 A:ASN224 2.7 25.9 1.0
OH A:TYR216 2.9 27.7 1.0
O A:HOH533 3.0 32.3 1.0
CE1 A:TYR216 3.6 24.7 1.0
CZ A:TYR216 3.7 28.4 1.0
CG A:ASN224 4.0 30.4 1.0
CG2 A:ILE179 4.0 22.0 1.0
OH A:TYR193 4.3 30.9 1.0
CD1 A:ILE179 4.4 27.7 1.0
CB A:ASN224 4.4 20.9 1.0
CA A:GLY218 4.8 27.2 1.0
CD1 A:TYR216 5.0 21.8 1.0
CB A:ILE179 5.0 23.0 1.0
OD1 A:ASN224 5.0 30.8 1.0

Chlorine binding site 4 out of 6 in 5d74

Go back to Chlorine Binding Sites List in 5d74
Chlorine binding site 4 out of 6 in the The Crystal Structure of LY7917


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of LY7917 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:26.6
occ:1.00
O A:HOH618 2.7 33.3 1.0
O A:HOH584 2.9 22.6 1.0
ND2 A:ASN70 3.3 20.5 1.0
O B:HOH425 3.6 31.0 1.0
CB B:SER133 3.8 25.4 1.0
CB A:ASN70 3.8 18.3 1.0
CG1 A:VAL43 3.9 27.8 1.0
NE1 A:TRP51 3.9 21.8 1.0
OG B:SER133 4.0 25.7 1.0
CG A:ASN70 4.0 23.3 1.0
CG2 A:VAL43 4.2 18.8 1.0
CB A:VAL43 4.2 19.2 1.0
CE2 A:TRP51 4.2 15.0 1.0
CZ2 A:TRP51 4.2 15.2 1.0
O A:HOH593 4.2 26.6 1.0
O A:HOH458 4.4 17.0 1.0
OD2 B:ASP112 4.4 25.2 1.0
O B:HOH549 4.5 30.0 1.0
CD1 A:TRP51 4.8 16.3 1.0
CA B:SER133 4.9 25.5 1.0

Chlorine binding site 5 out of 6 in 5d74

Go back to Chlorine Binding Sites List in 5d74
Chlorine binding site 5 out of 6 in the The Crystal Structure of LY7917


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Crystal Structure of LY7917 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:43.3
occ:1.00
N A:ALA94 3.5 33.8 1.0
CA A:GLY93 3.6 24.5 1.0
CD A:LYS63 3.8 22.5 1.0
C A:GLY93 4.1 28.1 1.0
O A:HOH463 4.4 23.2 1.0
CG2 A:VAL142 4.4 18.1 1.0
CB A:LYS63 4.6 16.6 1.0
CB A:ALA94 4.6 33.3 1.0
CA A:ALA94 4.6 31.1 1.0
CG A:LYS63 4.7 20.6 1.0
CE A:LYS63 4.8 31.0 1.0
N A:GLY93 4.8 21.8 1.0

Chlorine binding site 6 out of 6 in 5d74

Go back to Chlorine Binding Sites List in 5d74
Chlorine binding site 6 out of 6 in the The Crystal Structure of LY7917


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Crystal Structure of LY7917 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:21.0
occ:1.00
O B:HOH460 3.1 26.5 1.0
O B:HOH623 3.1 37.3 1.0
O B:HOH628 3.3 32.1 1.0
N B:PHE84 3.4 20.4 1.0
CB B:PRO83 3.5 19.4 1.0
CD2 B:PHE84 3.7 15.0 1.0
CA B:PRO83 3.9 18.5 1.0
CB B:PHE84 4.1 11.0 1.0
C B:PRO83 4.1 20.0 1.0
CA B:PHE84 4.2 12.5 1.0
O B:PHE84 4.3 14.3 1.0
CB B:ALA134 4.4 17.8 1.0
CG B:PHE84 4.4 14.5 1.0
CG1 B:VAL109 4.5 17.9 1.0
O B:HOH461 4.7 25.7 1.0
CE2 B:PHE84 4.7 15.4 1.0
C B:PHE84 4.8 16.9 1.0
O B:HOH433 4.9 36.5 1.0
O B:HOH519 5.0 26.2 1.0
CG B:PRO83 5.0 23.4 1.0
O B:HOH570 5.0 32.8 1.0

Reference:

L.Wu, W.H.Ji, J.H.Sun, J.H.Zhou. The Crystal Structure of LY7917 To Be Published.
Page generated: Sat Dec 12 11:37:56 2020

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