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Arsenic in PDB 4awj: Pvhl:Elob:Eloc Complex, in Complex with Capped Hydroxyproline

Protein crystallography data

The structure of Pvhl:Elob:Eloc Complex, in Complex with Capped Hydroxyproline, PDB code: 4awj was solved by I.Van Molle, A.Thomann, D.L.Buckley, E.C.So, S.Lang, C.M.Crews, A.Ciulli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.536 / 2.50
Space group P 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 93.400, 93.400, 362.040, 90.00, 90.00, 90.00
R / Rfree (%) 22.02 / 26.36

Arsenic Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Arsenic atom in the Pvhl:Elob:Eloc Complex, in Complex with Capped Hydroxyproline (pdb code 4awj). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 12 binding sites of Arsenic where determined in the Pvhl:Elob:Eloc Complex, in Complex with Capped Hydroxyproline, PDB code: 4awj:
Jump to Arsenic binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Arsenic binding site 1 out of 12 in 4awj

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Arsenic binding site 1 out of 12 in the Pvhl:Elob:Eloc Complex, in Complex with Capped Hydroxyproline


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Pvhl:Elob:Eloc Complex, in Complex with Capped Hydroxyproline within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As60

b:86.1
occ:1.00
 AS A:CAS60 0.0 86.1 1.0
CE2 A:CAS60 2.0 41.2 1.0
CE1 A:CAS60 2.0 28.4 1.0
SG A:CAS60 2.2 38.2 1.0
CB A:CAS60 3.3 15.5 1.0
CD2 A:LEU51 3.6 16.0 1.0
CA A:CAS60 3.6 18.5 1.0
N A:CAS60 4.2 17.9 1.0
CB A:LYS55 4.3 31.6 1.0
CG A:LYS55 4.4 30.9 1.0
O A:GLU59 4.5 29.7 1.0
C A:GLU59 4.6 25.0 1.0
OE1 A:GLN49 4.7 28.6 1.0
CG A:LEU51 4.8 19.4 1.0
C A:CAS60 4.8 22.1 1.0
CA A:LEU51 4.9 27.8 1.0
CB A:LEU51 4.9 23.0 1.0
N A:ASP52 5.0 35.0 1.0

Arsenic binding site 2 out of 12 in 4awj

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Arsenic binding site 2 out of 12 in the Pvhl:Elob:Eloc Complex, in Complex with Capped Hydroxyproline


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Pvhl:Elob:Eloc Complex, in Complex with Capped Hydroxyproline within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As89

b:0.7
occ:1.00
 AS A:CAS89 0.0 0.7 1.0
CE1 A:CAS89 2.0 0.4 1.0
CE2 A:CAS89 2.0 86.7 1.0
SG A:CAS89 2.2 62.5 1.0
CB A:CAS89 3.3 31.1 1.0
CA A:CAS89 3.9 30.2 1.0
N A:ILE90 4.2 30.1 1.0
C A:CAS89 4.3 30.6 1.0
O A:HOH2036 4.7 44.2 1.0
C A:ILE90 4.8 31.1 1.0
O A:ILE90 4.9 30.7 1.0
O A:HOH2034 4.9 38.8 1.0

Arsenic binding site 3 out of 12 in 4awj

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Arsenic binding site 3 out of 12 in the Pvhl:Elob:Eloc Complex, in Complex with Capped Hydroxyproline


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Pvhl:Elob:Eloc Complex, in Complex with Capped Hydroxyproline within 5.0Å range:
probe atom residue distance (Å) B Occ
C:As77

b:69.7
occ:1.00
 AS C:CAS77 0.0 69.7 1.0
CE1 C:CAS77 2.0 36.7 1.0
CE2 C:CAS77 2.0 0.3 1.0
SG C:CAS77 2.2 73.2 1.0
CB C:CAS77 3.3 29.5 1.0
CA C:CAS77 3.6 25.8 1.0
O C:THR105 4.0 41.9 1.0
CA C:GLY106 4.3 42.0 1.0
C C:CAS77 4.3 28.5 1.0
C C:THR105 4.4 41.0 1.0
N C:ASN78 4.5 30.9 1.0
N C:GLY106 4.5 43.5 1.0
CZ C:PHE148 4.6 56.7 1.0
N C:CAS77 4.9 28.5 1.0
O C:PHE76 4.9 36.9 1.0
NH2 C:ARG79 5.0 69.7 1.0

Arsenic binding site 4 out of 12 in 4awj

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Arsenic binding site 4 out of 12 in the Pvhl:Elob:Eloc Complex, in Complex with Capped Hydroxyproline


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Pvhl:Elob:Eloc Complex, in Complex with Capped Hydroxyproline within 5.0Å range:
probe atom residue distance (Å) B Occ
D:As60

b:74.1
occ:1.00
 AS D:CAS60 0.0 74.1 1.0
CE1 D:CAS60 2.0 56.6 1.0
CE2 D:CAS60 2.0 50.7 1.0
SG D:CAS60 2.2 45.5 1.0
CB D:CAS60 3.3 25.6 1.0
CA D:CAS60 3.5 24.0 1.0
CD2 D:LEU51 3.8 40.4 1.0
N D:CAS60 4.1 22.1 1.0
NE2 D:GLN49 4.3 24.6 1.0
CB D:LYS55 4.4 46.2 1.0
CG D:LYS55 4.4 45.5 1.0
O D:GLU59 4.5 23.1 1.0
C D:GLU59 4.5 25.2 1.0
C D:CAS60 4.8 25.6 1.0
CD D:GLN49 4.9 28.8 1.0
CA D:LEU51 5.0 47.4 1.0
CG D:LEU51 5.0 39.2 1.0

Arsenic binding site 5 out of 12 in 4awj

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Arsenic binding site 5 out of 12 in the Pvhl:Elob:Eloc Complex, in Complex with Capped Hydroxyproline


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 5 of Pvhl:Elob:Eloc Complex, in Complex with Capped Hydroxyproline within 5.0Å range:
probe atom residue distance (Å) B Occ
D:As89

b:0.3
occ:1.00
 AS D:CAS89 0.0 0.3 1.0
CE1 D:CAS89 2.0 89.7 1.0
CE2 D:CAS89 2.0 33.6 1.0
SG D:CAS89 2.2 87.0 1.0
CB D:CAS89 3.3 53.0 1.0
CA D:CAS89 3.9 53.9 1.0
C D:CAS89 4.0 52.8 1.0
N D:ILE90 4.0 48.3 1.0
N D:GLU91 4.2 50.0 1.0
C D:ILE90 4.4 45.1 1.0
CA D:GLU91 4.5 52.6 1.0
CG D:GLU91 4.6 64.7 1.0
O D:CAS89 4.6 53.0 1.0
CB D:GLU91 4.7 59.0 1.0
CA D:ILE90 4.7 42.5 1.0
O D:ILE90 4.8 44.2 1.0

Arsenic binding site 6 out of 12 in 4awj

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Arsenic binding site 6 out of 12 in the Pvhl:Elob:Eloc Complex, in Complex with Capped Hydroxyproline


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 6 of Pvhl:Elob:Eloc Complex, in Complex with Capped Hydroxyproline within 5.0Å range:
probe atom residue distance (Å) B Occ
F:As77

b:73.2
occ:1.00
 AS F:CAS77 0.0 73.2 1.0
CE1 F:CAS77 2.0 83.9 1.0
CE2 F:CAS77 2.0 53.9 1.0
SG F:CAS77 2.2 59.3 1.0
CB F:CAS77 3.3 39.9 1.0
CA F:CAS77 3.7 35.7 1.0
O F:THR105 4.1 47.3 1.0
CA F:GLY106 4.2 46.8 1.0
C F:THR105 4.3 46.2 1.0
N F:GLY106 4.4 48.3 1.0
C F:CAS77 4.4 31.7 1.0
CZ F:PHE148 4.4 60.2 1.0
CE H:MET45 4.6 49.9 1.0
N F:ASN78 4.6 31.1 1.0
CE2 F:PHE148 4.9 60.4 1.0
N F:CAS77 5.0 35.7 1.0

Arsenic binding site 7 out of 12 in 4awj

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Arsenic binding site 7 out of 12 in the Pvhl:Elob:Eloc Complex, in Complex with Capped Hydroxyproline


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 7 of Pvhl:Elob:Eloc Complex, in Complex with Capped Hydroxyproline within 5.0Å range:
probe atom residue distance (Å) B Occ
G:As60

b:62.8
occ:1.00
 AS G:CAS60 0.0 62.8 1.0
CE1 G:CAS60 2.0 47.8 1.0
CE2 G:CAS60 2.0 80.7 1.0
SG G:CAS60 2.2 42.6 1.0
CB G:CAS60 3.3 27.9 1.0
CA G:CAS60 3.6 29.2 1.0
CD2 G:LEU51 3.7 36.8 1.0
OE1 G:GLN49 4.0 28.4 1.0
N G:CAS60 4.6 30.6 1.0
CD G:GLN49 4.6 27.5 1.0
CB G:LYS55 4.6 38.3 1.0
C G:CAS60 4.7 33.3 1.0
O G:CAS60 4.7 36.5 1.0
CG G:LYS55 4.7 37.8 1.0
O G:GLU59 4.7 39.1 1.0
CA G:LEU51 4.9 38.0 1.0
CG G:LEU51 5.0 38.2 1.0

Arsenic binding site 8 out of 12 in 4awj

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Arsenic binding site 8 out of 12 in the Pvhl:Elob:Eloc Complex, in Complex with Capped Hydroxyproline


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 8 of Pvhl:Elob:Eloc Complex, in Complex with Capped Hydroxyproline within 5.0Å range:
probe atom residue distance (Å) B Occ
G:As89

b:96.4
occ:1.00
 AS G:CAS89 0.0 96.4 1.0
CE1 G:CAS89 2.0 17.5 1.0
CE2 G:CAS89 2.0 90.2 1.0
SG G:CAS89 2.2 0.4 1.0
CB G:CAS89 3.2 30.2 1.0
CA G:CAS89 4.0 31.7 1.0
C G:CAS89 4.1 29.6 1.0
N G:ILE90 4.2 29.5 1.0
C G:ILE90 4.7 28.9 1.0
O G:ILE90 4.7 29.2 1.0
O G:CAS89 4.7 28.2 1.0
OE2 G:GLU91 4.7 44.4 1.0
N G:GLU91 4.9 28.8 1.0
O G:HOH2022 4.9 48.4 1.0
CG G:GLU91 4.9 41.9 1.0
CA G:ILE90 5.0 30.6 1.0

Arsenic binding site 9 out of 12 in 4awj

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Arsenic binding site 9 out of 12 in the Pvhl:Elob:Eloc Complex, in Complex with Capped Hydroxyproline


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 9 of Pvhl:Elob:Eloc Complex, in Complex with Capped Hydroxyproline within 5.0Å range:
probe atom residue distance (Å) B Occ
I:As77

b:66.6
occ:1.00
 AS I:CAS77 0.0 66.6 1.0
CE1 I:CAS77 2.0 46.5 1.0
CE2 I:CAS77 2.0 76.8 1.0
SG I:CAS77 2.2 49.6 1.0
CB I:CAS77 3.3 17.0 1.0
CA I:CAS77 3.6 17.3 1.0
CA I:GLY106 3.9 38.5 1.0
N I:GLY106 4.2 36.2 1.0
O I:THR105 4.2 30.6 1.0
C I:CAS77 4.3 17.8 1.0
C I:THR105 4.4 36.3 1.0
N I:ASN78 4.5 15.5 1.0
O I:PHE76 4.9 26.4 1.0
N I:CAS77 4.9 18.3 1.0
CE2 I:PHE148 5.0 47.4 1.0

Arsenic binding site 10 out of 12 in 4awj

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Arsenic binding site 10 out of 12 in the Pvhl:Elob:Eloc Complex, in Complex with Capped Hydroxyproline


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 10 of Pvhl:Elob:Eloc Complex, in Complex with Capped Hydroxyproline within 5.0Å range:
probe atom residue distance (Å) B Occ
J:As60

b:83.8
occ:1.00
 AS J:CAS60 0.0 83.8 1.0
CE1 J:CAS60 2.0 82.5 1.0
CE2 J:CAS60 2.0 51.4 1.0
SG J:CAS60 2.2 47.1 1.0
CB J:CAS60 3.3 25.1 1.0
CA J:CAS60 3.7 21.1 1.0
CD2 J:LEU51 4.1 25.3 1.0
CG J:LYS55 4.2 31.0 1.0
CB J:LYS55 4.3 26.5 1.0
N J:CAS60 4.3 20.6 1.0
OE1 J:GLN49 4.5 35.5 1.0
O J:GLU59 4.5 30.2 1.0
C J:GLU59 4.7 27.4 1.0
CD J:LYS55 4.9 31.6 1.0
N J:ASP52 4.9 33.8 1.0
C J:CAS60 5.0 26.9 1.0
CD J:GLN49 5.0 26.8 1.0

Reference:

I.Van Molle, A.Thomann, D.L.Buckley, E.C.So, S.Lang, C.M.Crews, A.Ciulli. Dissecting Fragment-Based Lead Discovery at the Von Hippel- Lindau Protein:Hypoxia Inducible Factor 1ALPHA Protein- Protein Interface. Chem.Biol. V. 19 1300 2012.
ISSN: ISSN 1879-1301
PubMed: 23102223
DOI: 10.1016/J.CHEMBIOL.2012.08.015
Page generated: Wed Jul 10 11:57:21 2024

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