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Cobalt in PDB 5u97: Crystal Structure of Co-CAO1 in Complex with Piceatannol

Protein crystallography data

The structure of Crystal Structure of Co-CAO1 in Complex with Piceatannol, PDB code: 5u97 was solved by X.Sui, K.Palczewski, S.Banerjee, P.D.Kiser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.86 / 1.85
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 101.050, 101.050, 448.184, 90.00, 90.00, 120.00
R / Rfree (%) 18 / 20.6

Cobalt Binding Sites:

The binding sites of Cobalt atom in the Crystal Structure of Co-CAO1 in Complex with Piceatannol (pdb code 5u97). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 4 binding sites of Cobalt where determined in the Crystal Structure of Co-CAO1 in Complex with Piceatannol, PDB code: 5u97:
Jump to Cobalt binding site number: 1; 2; 3; 4;

Cobalt binding site 1 out of 4 in 5u97

Go back to Cobalt Binding Sites List in 5u97
Cobalt binding site 1 out of 4 in the Crystal Structure of Co-CAO1 in Complex with Piceatannol


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Crystal Structure of Co-CAO1 in Complex with Piceatannol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co601

b:22.4
occ:1.00
NE2 A:HIS248 2.1 22.0 1.0
NE2 A:HIS313 2.1 22.7 1.0
NE2 A:HIS510 2.1 19.8 1.0
NE2 A:HIS197 2.1 24.2 1.0
O A:HOH978 2.5 31.8 1.0
CD2 A:HIS313 3.0 23.1 1.0
CD2 A:HIS248 3.0 20.8 1.0
CE1 A:HIS510 3.0 22.7 1.0
CE1 A:HIS197 3.0 24.6 1.0
CE1 A:HIS313 3.1 24.3 1.0
CD2 A:HIS510 3.1 20.1 1.0
CE1 A:HIS248 3.1 23.1 1.0
CD2 A:HIS197 3.2 23.7 1.0
ND1 A:HIS510 4.1 21.5 1.0
CG A:HIS313 4.1 24.1 1.0
CG A:HIS248 4.2 22.9 1.0
ND1 A:HIS313 4.2 26.5 1.0
ND1 A:HIS197 4.2 25.8 1.0
ND1 A:HIS248 4.2 23.1 1.0
CG A:HIS510 4.2 19.8 1.0
CG A:HIS197 4.3 24.6 1.0
CG2 A:THR151 4.6 17.0 1.0
C6 A:PIT602 4.6 19.8 1.0
C8 A:PIT602 4.7 22.4 1.0
C7 A:PIT602 4.7 22.2 1.0
C5 A:PIT602 4.8 21.5 1.0

Cobalt binding site 2 out of 4 in 5u97

Go back to Cobalt Binding Sites List in 5u97
Cobalt binding site 2 out of 4 in the Crystal Structure of Co-CAO1 in Complex with Piceatannol


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Crystal Structure of Co-CAO1 in Complex with Piceatannol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Co601

b:22.1
occ:1.00
NE2 B:HIS510 2.0 24.0 1.0
NE2 B:HIS197 2.1 22.7 1.0
NE2 B:HIS313 2.1 19.6 1.0
NE2 B:HIS248 2.1 16.7 1.0
O B:HOH853 2.5 34.2 1.0
CE1 B:HIS510 2.9 23.6 1.0
CE1 B:HIS197 2.9 21.4 1.0
CD2 B:HIS313 3.0 20.4 1.0
CD2 B:HIS248 3.0 16.4 1.0
CD2 B:HIS510 3.0 22.9 1.0
CE1 B:HIS313 3.1 20.9 1.0
CE1 B:HIS248 3.2 17.6 1.0
CD2 B:HIS197 3.2 22.0 1.0
ND1 B:HIS510 4.0 21.8 1.0
CG B:HIS510 4.1 23.5 1.0
ND1 B:HIS197 4.1 23.7 1.0
CG B:HIS313 4.2 20.9 1.0
ND1 B:HIS313 4.2 20.3 1.0
CG B:HIS248 4.2 18.7 1.0
ND1 B:HIS248 4.2 17.8 1.0
CG B:HIS197 4.2 22.6 1.0
C6 B:PIT602 4.6 20.9 1.0
CG2 B:THR151 4.6 18.9 1.0
C8 B:PIT602 4.7 21.4 1.0
C7 B:PIT602 4.8 21.9 1.0
C5 B:PIT602 4.8 21.3 1.0

Cobalt binding site 3 out of 4 in 5u97

Go back to Cobalt Binding Sites List in 5u97
Cobalt binding site 3 out of 4 in the Crystal Structure of Co-CAO1 in Complex with Piceatannol


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of Crystal Structure of Co-CAO1 in Complex with Piceatannol within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Co601

b:24.2
occ:1.00
NE2 C:HIS197 2.1 22.1 1.0
NE2 C:HIS510 2.1 25.0 1.0
NE2 C:HIS313 2.1 20.3 1.0
NE2 C:HIS248 2.1 23.6 1.0
O C:HOH952 2.5 40.7 1.0
CE1 C:HIS197 2.9 23.9 1.0
CE1 C:HIS510 3.0 25.9 1.0
CD2 C:HIS313 3.0 19.1 1.0
CD2 C:HIS248 3.0 25.4 1.0
CD2 C:HIS510 3.1 22.6 1.0
CE1 C:HIS313 3.2 18.9 1.0
CD2 C:HIS197 3.2 23.1 1.0
CE1 C:HIS248 3.2 24.8 1.0
ND1 C:HIS510 4.1 21.9 1.0
ND1 C:HIS197 4.1 21.4 1.0
CG C:HIS510 4.1 23.8 1.0
CG C:HIS313 4.2 20.4 1.0
ND1 C:HIS313 4.2 20.3 1.0
CG C:HIS248 4.2 25.3 1.0
CG C:HIS197 4.2 22.7 1.0
ND1 C:HIS248 4.2 23.5 1.0
C6 C:PIT602 4.6 22.9 1.0
CG2 C:THR151 4.6 19.1 1.0
C8 C:PIT602 4.7 20.8 1.0
C7 C:PIT602 4.8 21.5 1.0
C5 C:PIT602 4.8 21.0 1.0

Cobalt binding site 4 out of 4 in 5u97

Go back to Cobalt Binding Sites List in 5u97
Cobalt binding site 4 out of 4 in the Crystal Structure of Co-CAO1 in Complex with Piceatannol


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of Crystal Structure of Co-CAO1 in Complex with Piceatannol within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Co601

b:21.4
occ:1.00
NE2 D:HIS197 2.1 23.6 1.0
NE2 D:HIS510 2.1 20.9 1.0
NE2 D:HIS313 2.1 19.1 1.0
NE2 D:HIS248 2.1 22.9 1.0
O D:HOH917 2.4 32.9 1.0
CE1 D:HIS197 2.9 21.4 1.0
CE1 D:HIS510 3.0 20.9 1.0
CD2 D:HIS313 3.0 18.8 1.0
CD2 D:HIS248 3.1 20.8 1.0
CD2 D:HIS510 3.1 22.8 1.0
CE1 D:HIS313 3.2 20.9 1.0
CD2 D:HIS197 3.2 20.8 1.0
CE1 D:HIS248 3.2 21.4 1.0
ND1 D:HIS510 4.1 23.1 1.0
ND1 D:HIS197 4.1 22.0 1.0
CG D:HIS510 4.1 22.9 1.0
CG D:HIS313 4.2 20.8 1.0
ND1 D:HIS313 4.2 21.3 1.0
CG D:HIS248 4.2 20.7 1.0
CG D:HIS197 4.2 19.0 1.0
ND1 D:HIS248 4.2 19.2 1.0
CG2 D:THR151 4.6 21.5 1.0
C6 D:PIT602 4.6 17.6 1.0
C8 D:PIT602 4.7 20.7 1.0
C7 D:PIT602 4.8 21.7 1.0
C5 D:PIT602 4.8 19.4 1.0

Reference:

X.Sui, A.C.Weitz, E.R.Farquhar, M.Badiee, S.Banerjee, J.Von Lintig, G.P.Tochtrop, K.Palczewski, M.P.Hendrich, P.D.Kiser. Structure and Spectroscopy of Alkene-Cleaving Dioxygenases Containing An Atypically Coordinated Non-Heme Iron Center. Biochemistry V. 56 2836 2017.
ISSN: ISSN 1520-4995
PubMed: 28493664
DOI: 10.1021/ACS.BIOCHEM.7B00251
Page generated: Sun Dec 13 10:48:36 2020

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