Chlorine in PDB 7nin: X-Ray Crystal Structure of LSAA9A - CINNAMTANNINB1 Soak

Protein crystallography data

The structure of X-Ray Crystal Structure of LSAA9A - CINNAMTANNINB1 Soak, PDB code: 7nin was solved by K.E.H.Frandsen, R.Tokin, L.Skov, K.S.Johansen, L.Lo Leggio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.25 / 1.40
Space group P 41 3 2
Cell size a, b, c (Å), α, β, γ (°) 125.04, 125.04, 125.04, 90, 90, 90
R / Rfree (%) 17.4 / 19.2

Other elements in 7nin:

The structure of X-Ray Crystal Structure of LSAA9A - CINNAMTANNINB1 Soak also contains other interesting chemical elements:

Copper (Cu) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Crystal Structure of LSAA9A - CINNAMTANNINB1 Soak (pdb code 7nin). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the X-Ray Crystal Structure of LSAA9A - CINNAMTANNINB1 Soak, PDB code: 7nin:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 7nin

Go back to Chlorine Binding Sites List in 7nin
Chlorine binding site 1 out of 6 in the X-Ray Crystal Structure of LSAA9A - CINNAMTANNINB1 Soak


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystal Structure of LSAA9A - CINNAMTANNINB1 Soak within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:33.2
occ:0.65
 N A:ASP176 2.0 27.3 0.2
CB A:ASP176 2.8 29.3 0.2
CA A:ASP176 2.9 25.9 0.2
C A:SER175 2.9 22.1 0.2
O A:HOH541 3.1 35.7 1.0
N A:ASP176 3.2 23.6 0.8
ND1 A:HIS131 3.2 48.0 1.0
CA A:SER175 3.4 22.6 0.2
CG A:ASP176 3.5 32.9 0.8
OD1 A:ASP176 3.6 29.8 0.8
CG A:ASP176 3.6 27.4 0.2
CA A:SER175 3.6 25.3 0.8
OD2 A:ASP176 3.7 30.6 0.8
CE1 A:HIS131 3.7 40.1 1.0
C A:SER175 3.9 26.5 0.8
O A:SER175 3.9 27.3 0.2
CB A:ASP176 3.9 28.3 0.8
CB A:ALA56 3.9 26.3 1.0
OD1 A:ASP176 4.1 22.7 0.2
CA A:ASP176 4.1 28.6 0.8
C A:ASP176 4.2 27.9 0.2
OD2 A:ASP176 4.2 29.4 0.2
OG A:SER175 4.3 20.6 0.2
OG A:SER175 4.3 23.2 0.8
CG A:HIS131 4.4 34.6 1.0
N A:SER175 4.4 21.1 0.2
CB A:SER175 4.4 21.5 0.2
CB A:SER175 4.5 22.1 0.8
N A:SER175 4.5 23.5 0.8
O A:HOH543 4.5 27.5 1.0
N A:ASP177 4.6 16.0 0.2
O A:SER174 4.8 25.6 0.5
O A:SER174 4.8 22.6 0.5
CB A:HIS131 4.8 29.4 1.0
O A:HOH702 4.9 35.5 1.0
C A:SER174 4.9 23.9 0.5
C A:SER174 4.9 24.4 0.5
O A:HOH651 5.0 41.3 1.0
NE2 A:HIS131 5.0 44.0 1.0

Chlorine binding site 2 out of 6 in 7nin

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Chlorine binding site 2 out of 6 in the X-Ray Crystal Structure of LSAA9A - CINNAMTANNINB1 Soak


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Crystal Structure of LSAA9A - CINNAMTANNINB1 Soak within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:68.6
occ:0.33
 CBY A:UFK309 4.2 30.3 0.9
CBZ A:UFK309 4.2 28.8 0.9
OCC A:UFK309 4.3 33.2 0.9
OCD A:UFK309 4.4 32.3 0.9
CCA A:UFK309 4.6 30.4 0.9
CBX A:UFK309 4.7 27.8 0.9
CCB A:UFK309 4.9 28.8 0.9

Chlorine binding site 3 out of 6 in 7nin

Go back to Chlorine Binding Sites List in 7nin
Chlorine binding site 3 out of 6 in the X-Ray Crystal Structure of LSAA9A - CINNAMTANNINB1 Soak


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Crystal Structure of LSAA9A - CINNAMTANNINB1 Soak within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:30.0
occ:0.90
 O A:HOH552 3.1 40.4 1.0
N A:GLN228 3.2 23.6 1.0
O A:HOH564 3.5 34.8 1.0
O A:HOH443 3.6 39.0 1.0
CA A:ALA121 3.7 23.2 1.0
CA A:ALA227 3.8 24.5 1.0
CB A:ALA121 3.9 23.9 1.0
CB A:GLN228 3.9 23.0 1.0
C A:ALA227 4.0 22.6 1.0
O A:THR120 4.1 25.8 1.0
CA A:GLN228 4.2 22.7 1.0
N A:ALA121 4.2 24.8 1.0
C A:THR120 4.4 25.4 1.0
CB A:ALA227 4.4 25.3 1.0
CG2 A:THR120 4.6 31.4 1.0
O A:HOH727 4.8 53.4 1.0
C A:ALA121 4.8 22.6 1.0
N A:ALA227 4.9 23.7 1.0
O A:GLN228 4.9 26.3 1.0

Chlorine binding site 4 out of 6 in 7nin

Go back to Chlorine Binding Sites List in 7nin
Chlorine binding site 4 out of 6 in the X-Ray Crystal Structure of LSAA9A - CINNAMTANNINB1 Soak


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Crystal Structure of LSAA9A - CINNAMTANNINB1 Soak within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:27.0
occ:0.90
 O A:HOH527 2.9 43.2 1.0
O A:HOH430 3.0 41.0 1.0
N A:LYS32 3.1 18.8 1.0
N A:ASN33 3.3 18.6 1.0
O A:HOH714 3.3 44.7 1.0
CB A:ASN33 3.7 19.0 1.0
CA A:LYS32 3.9 19.4 1.0
CA A:VAL31 4.0 18.1 1.0
C A:VAL31 4.0 18.4 1.0
C A:LYS32 4.1 19.2 1.0
CG1 A:VAL31 4.1 19.9 1.0
CA A:ASN33 4.1 19.7 1.0
CB A:LYS32 4.3 20.6 1.0
O A:HOH553 4.4 36.2 1.0
CB A:VAL31 4.6 19.4 1.0
OH A:TYR153 4.6 24.5 1.0
O A:HOH434 4.6 44.9 1.0
O A:PRO30 4.7 18.3 1.0
CZ A:TYR153 4.7 21.6 1.0
O A:HOH519 4.7 25.5 1.0
CG A:LYS32 5.0 21.1 1.0

Chlorine binding site 5 out of 6 in 7nin

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Chlorine binding site 5 out of 6 in the X-Ray Crystal Structure of LSAA9A - CINNAMTANNINB1 Soak


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of X-Ray Crystal Structure of LSAA9A - CINNAMTANNINB1 Soak within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:31.2
occ:1.00
 O A:HOH548 3.0 20.6 1.0
OG A:SER225 3.0 33.0 1.0
CA A:GLY224 3.5 27.6 1.0
N A:SER225 3.6 23.8 1.0
C A:GLY224 3.6 25.3 1.0
CB A:SER126 3.8 21.1 1.0
CB A:SER225 3.8 27.2 1.0
N A:GLY224 4.1 25.4 1.0
O A:SER126 4.3 21.0 1.0
O A:GLY224 4.3 30.5 1.0
CA A:SER225 4.3 24.7 1.0
C A:SER126 4.4 19.7 1.0
CG2 A:THR59 4.4 22.4 1.0
CG2 A:VAL128 4.4 20.8 1.0
OG A:SER126 4.6 22.5 1.0
CA A:SER126 4.6 19.3 1.0
C A:GLY223 4.7 28.7 1.0
N A:VAL127 4.8 20.2 1.0
O A:HOH439 4.9 26.6 1.0
C A:VAL127 4.9 21.3 1.0
O A:SER225 4.9 28.0 1.0
CA A:VAL127 5.0 21.7 1.0

Chlorine binding site 6 out of 6 in 7nin

Go back to Chlorine Binding Sites List in 7nin
Chlorine binding site 6 out of 6 in the X-Ray Crystal Structure of LSAA9A - CINNAMTANNINB1 Soak


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of X-Ray Crystal Structure of LSAA9A - CINNAMTANNINB1 Soak within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl308

b:52.7
occ:1.00
 N A:SER219 3.3 33.7 1.0
OG A:SER219 3.6 38.7 1.0
CD1 A:TRP218 3.6 30.1 1.0
CA A:TRP218 3.7 30.1 1.0
O A:HOH699 3.8 42.8 1.0
C A:TRP218 4.0 32.1 1.0
CB A:SER219 4.1 37.0 1.0
CA A:SER219 4.3 37.5 1.0
O A:VAL217 4.4 32.5 1.0
CG A:TRP218 4.5 32.5 1.0
CB A:TRP218 4.6 29.2 1.0
NE1 A:TRP218 4.7 33.5 1.0
N A:TRP218 4.7 30.0 1.0
O A:HOH554 4.8 35.0 0.7
C A:VAL217 4.9 30.8 1.0

Reference:

R.Tokin, K.E.H.Frandsen, J.Ipsen, L.Lo Leggio, M.M.Poojary, J.-G.Berrin, S.Grisel, S.Brander, P.-E.Jensen, K.S.Johansen. X-Ray Crystal Structure of LSAA9A - CINNAMTANNINB1 Soak To Be Published.
Page generated: Sat Aug 21 13:22:57 2021

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