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Copper in PDB 6pgj: Crystal Structure of Ecdsba in A Complex with Unpurified Reaction Product A5 (Morpholine Carboxylic Acid 7)

Protein crystallography data

The structure of Crystal Structure of Ecdsba in A Complex with Unpurified Reaction Product A5 (Morpholine Carboxylic Acid 7), PDB code: 6pgj was solved by O.V.Ilyichova, M.Bentley, B.Doak, M.J.Scanlon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.69 / 1.90
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 117.608, 64.827, 74.131, 90.00, 125.93, 90.00
R / Rfree (%) 19.3 / 22.6

Copper Binding Sites:

The binding sites of Copper atom in the Crystal Structure of Ecdsba in A Complex with Unpurified Reaction Product A5 (Morpholine Carboxylic Acid 7) (pdb code 6pgj). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Crystal Structure of Ecdsba in A Complex with Unpurified Reaction Product A5 (Morpholine Carboxylic Acid 7), PDB code: 6pgj:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in 6pgj

Go back to Copper Binding Sites List in 6pgj
Copper binding site 1 out of 2 in the Crystal Structure of Ecdsba in A Complex with Unpurified Reaction Product A5 (Morpholine Carboxylic Acid 7)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Crystal Structure of Ecdsba in A Complex with Unpurified Reaction Product A5 (Morpholine Carboxylic Acid 7) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu201

b:0.1
occ:0.61
O B:ALA1 2.3 0.4 1.0
CB B:ALA1 2.5 0.8 1.0
CA B:ALA1 3.0 0.3 1.0
C B:ALA1 3.0 0.2 1.0
O B:HOH310 3.1 64.9 1.0
N B:ALA1 3.2 0.3 1.0
N B:GLN2 4.3 0.7 1.0
CU B:CU202 4.9 89.5 0.6

Copper binding site 2 out of 2 in 6pgj

Go back to Copper Binding Sites List in 6pgj
Copper binding site 2 out of 2 in the Crystal Structure of Ecdsba in A Complex with Unpurified Reaction Product A5 (Morpholine Carboxylic Acid 7)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Crystal Structure of Ecdsba in A Complex with Unpurified Reaction Product A5 (Morpholine Carboxylic Acid 7) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu202

b:89.5
occ:0.59
CA B:ALA1 2.4 0.3 1.0
N B:ALA1 2.4 0.3 1.0
CB B:ALA1 3.0 0.8 1.0
O B:HOH322 3.1 67.1 1.0
C B:ALA1 3.8 0.2 1.0
N B:GLN2 4.2 0.7 1.0
O B:ALA1 4.8 0.4 1.0
CU B:CU201 4.9 0.1 0.6

Reference:

M.Bentley, O.V.Ilyichova, B.Doak, M.J.Scanlon. Rapid Elaboration of Fragments Into Leads By X-Ray Crystallography (Refilx) To Be Published.
Page generated: Sun Dec 13 11:24:33 2020

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