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Iodine in PDB 6rbc: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor KB1157

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor KB1157

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor KB1157:
3.4.17.21;

Protein crystallography data

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor KB1157, PDB code: 6rbc was solved by C.Barinka, Z.Kutil, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.00 / 1.77
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.551, 130.470, 159.045, 90.00, 90.00, 90.00
R / Rfree (%) 16.4 / 19.1

Other elements in 6rbc:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor KB1157 also contains other interesting chemical elements:

Zinc (Zn) 2 atoms
Calcium (Ca) 1 atom
Chlorine (Cl) 1 atom

Iodine Binding Sites:

The binding sites of Iodine atom in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor KB1157 (pdb code 6rbc). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor KB1157, PDB code: 6rbc:

Iodine binding site 1 out of 1 in 6rbc

Go back to Iodine Binding Sites List in 6rbc
Iodine binding site 1 out of 1 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor KB1157


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor KB1157 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I817

b:43.2
occ:1.00
 I1 A:JX5817 0.0 43.2 1.0
C18 A:JX5817 2.1 40.4 1.0
C17 A:JX5817 3.0 43.0 1.0
C19 A:JX5817 3.0 40.2 1.0
NE A:ARG534 3.8 30.4 1.0
CG A:ARG463 3.9 33.1 1.0
CG A:ARG534 3.9 29.0 1.0
CG A:ARG536 3.9 33.0 1.0
CD A:ARG463 4.0 35.9 1.0
CD A:ARG534 4.0 29.0 1.0
CZ A:ARG534 4.1 28.7 1.0
OD2 A:ASP465 4.1 33.5 1.0
O A:ARG463 4.2 29.3 1.0
CG A:ASP465 4.2 30.9 1.0
OD1 A:ASP465 4.2 30.5 1.0
NE A:ARG463 4.2 40.6 1.0
C20 A:JX5817 4.3 42.6 1.0
C16 A:JX5817 4.3 44.5 1.0
NE A:ARG536 4.3 36.2 1.0
CD A:ARG536 4.4 35.0 1.0
NH1 A:ARG534 4.4 27.3 1.0
CB A:ARG463 4.5 30.2 1.0
C A:ARG463 4.6 28.4 1.0
O A:HOH919 4.6 40.8 1.0
NH2 A:ARG534 4.6 25.8 1.0
N A:ASP465 4.6 27.1 1.0
N A:ARG536 4.8 28.4 1.0
CB A:ASP465 4.9 27.1 1.0
CB A:ARG534 4.9 25.8 1.0
C15 A:JX5817 4.9 44.8 1.0
O A:ARG534 4.9 26.8 1.0
CZ A:ARG463 5.0 44.4 1.0

Reference:

C.Barinka, Z.Kutil. X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor KB1157 To Be Published.
Page generated: Sun Dec 13 19:47:57 2020

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