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Chlorine in PDB 5suu: X-Ray Crystallographic Structure of A Covalent Trimer Derived From A- Beta 17-36. X-Ray Diffractometer Data Set. (Orn)Cvffced(Orn)Aii(Sar) L(Orn)V.

Protein crystallography data

The structure of X-Ray Crystallographic Structure of A Covalent Trimer Derived From A- Beta 17-36. X-Ray Diffractometer Data Set. (Orn)Cvffced(Orn)Aii(Sar) L(Orn)V., PDB code: 5suu was solved by A.G.Kreutzer, R.K.Spencer, J.S.Nowick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.12 / 2.03
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 50.236, 50.236, 64.802, 90.00, 90.00, 120.00
R / Rfree (%) 21.6 / 24

Other elements in 5suu:

The structure of X-Ray Crystallographic Structure of A Covalent Trimer Derived From A- Beta 17-36. X-Ray Diffractometer Data Set. (Orn)Cvffced(Orn)Aii(Sar) L(Orn)V. also contains other interesting chemical elements:

Iodine (I) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Crystallographic Structure of A Covalent Trimer Derived From A- Beta 17-36. X-Ray Diffractometer Data Set. (Orn)Cvffced(Orn)Aii(Sar) L(Orn)V. (pdb code 5suu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the X-Ray Crystallographic Structure of A Covalent Trimer Derived From A- Beta 17-36. X-Ray Diffractometer Data Set. (Orn)Cvffced(Orn)Aii(Sar) L(Orn)V., PDB code: 5suu:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5suu

Go back to Chlorine Binding Sites List in 5suu
Chlorine binding site 1 out of 4 in the X-Ray Crystallographic Structure of A Covalent Trimer Derived From A- Beta 17-36. X-Ray Diffractometer Data Set. (Orn)Cvffced(Orn)Aii(Sar) L(Orn)V.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystallographic Structure of A Covalent Trimer Derived From A- Beta 17-36. X-Ray Diffractometer Data Set. (Orn)Cvffced(Orn)Aii(Sar) L(Orn)V. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl101

b:58.3
occ:1.00
HD13 A:LEU14 2.6 45.5 1.0
H A:ORN15 2.7 34.4 1.0
HA A:LEU14 3.1 35.1 1.0
CD1 A:LEU14 3.5 37.9 1.0
HD11 A:LEU14 3.5 45.5 1.0
N A:ORN15 3.6 28.6 1.0
HB2 A:ORN15 3.8 45.0 1.0
HD12 A:LEU14 3.9 45.5 1.0
CA A:LEU14 4.0 29.2 1.0
C A:LEU14 4.3 36.7 1.0
O A:SAR13 4.4 23.9 1.0
CA A:ORN15 4.5 36.6 1.0
CB A:ORN15 4.6 37.5 1.0
CG A:LEU14 4.6 35.9 1.0
CB A:LEU14 4.7 30.2 1.0
HB2 A:LEU14 4.7 36.2 1.0
O A:ORN15 4.7 49.9 1.0
HG A:LEU14 4.8 43.1 1.0
N A:LEU14 4.9 23.2 1.0

Chlorine binding site 2 out of 4 in 5suu

Go back to Chlorine Binding Sites List in 5suu
Chlorine binding site 2 out of 4 in the X-Ray Crystallographic Structure of A Covalent Trimer Derived From A- Beta 17-36. X-Ray Diffractometer Data Set. (Orn)Cvffced(Orn)Aii(Sar) L(Orn)V.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Crystallographic Structure of A Covalent Trimer Derived From A- Beta 17-36. X-Ray Diffractometer Data Set. (Orn)Cvffced(Orn)Aii(Sar) L(Orn)V. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl102

b:41.1
occ:1.00
HE2 A:ORN15 2.1 39.3 1.0
NE A:ORN15 3.0 32.8 1.0
HA A:CYS2 3.2 57.7 1.0
HE1 A:ORN15 3.3 39.3 1.0
HN3 A:ORN15 3.3 39.3 1.0
O A:ORN1 3.7 65.8 1.0
HG23 A:VAL3 3.9 50.4 1.0
CD A:ORN15 4.0 37.5 1.0
HD2 A:ORN15 4.0 45.0 1.0
HD3 A:ORN15 4.1 45.0 1.0
CA A:CYS2 4.2 48.1 1.0
O A:HOH201 4.3 51.6 0.5
C A:ORN1 4.3 61.0 1.0
N A:CYS2 4.6 48.7 1.0
C A:CYS2 4.7 36.1 1.0
HB3 A:ORN1 4.8 82.2 1.0
CG2 A:VAL3 4.8 42.0 1.0
HG22 A:VAL3 4.8 50.4 1.0
HG3 A:ORN1 4.8 79.5 1.0
H A:VAL3 4.9 36.3 1.0

Chlorine binding site 3 out of 4 in 5suu

Go back to Chlorine Binding Sites List in 5suu
Chlorine binding site 3 out of 4 in the X-Ray Crystallographic Structure of A Covalent Trimer Derived From A- Beta 17-36. X-Ray Diffractometer Data Set. (Orn)Cvffced(Orn)Aii(Sar) L(Orn)V.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Crystallographic Structure of A Covalent Trimer Derived From A- Beta 17-36. X-Ray Diffractometer Data Set. (Orn)Cvffced(Orn)Aii(Sar) L(Orn)V. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl103

b:21.4
occ:1.00
HD2 A:ORN1 3.8 76.7 1.0
HD3 A:ORN1 4.3 76.7 1.0
CD A:ORN1 4.5 63.9 1.0

Chlorine binding site 4 out of 4 in 5suu

Go back to Chlorine Binding Sites List in 5suu
Chlorine binding site 4 out of 4 in the X-Ray Crystallographic Structure of A Covalent Trimer Derived From A- Beta 17-36. X-Ray Diffractometer Data Set. (Orn)Cvffced(Orn)Aii(Sar) L(Orn)V.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Crystallographic Structure of A Covalent Trimer Derived From A- Beta 17-36. X-Ray Diffractometer Data Set. (Orn)Cvffced(Orn)Aii(Sar) L(Orn)V. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl102

b:67.0
occ:0.50
HB2 B:ALA10 2.8 31.9 1.0
HA B:ALA10 3.3 29.3 1.0
CB B:ALA10 3.6 26.6 1.0
CA B:ALA10 3.8 24.4 1.0
N B:ALA10 4.0 23.0 1.0
HB1 B:ALA10 4.0 31.9 1.0
C B:ORN9 4.2 23.3 1.0
O B:ORN9 4.3 21.8 1.0
H B:ALA10 4.3 27.6 1.0
HB3 B:ALA10 4.4 31.9 1.0
H2 B:ORN9 4.5 25.8 1.0
HA B:ORN9 4.8 28.0 1.0

Reference:

A.G.Kreutzer, S.Yoo, R.K.Spencer, J.S.Nowick. X-Ray Crystallographic Structure of A Covalent Trimer Derived From A-Beta 17-36. X-Ray Diffractometer Data Set. (Orn)Cvffced(Orn)Aii(Sar)L(Orn)V. To Be Published.
Page generated: Fri Jul 26 17:06:17 2024

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