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Zinc in PDB 8k73: Factor-Inhibiting Hypoxia-Inducible Factor in Complex with Zn(II) and 2-(3-Hydroxy-2-((1-(Phenylsulfonyl)Pyrrolidine-3-Carbonyl)Imino)-2,3- Dihydrothiazol-4-Yl)Acetic Acid

Enzymatic activity of Factor-Inhibiting Hypoxia-Inducible Factor in Complex with Zn(II) and 2-(3-Hydroxy-2-((1-(Phenylsulfonyl)Pyrrolidine-3-Carbonyl)Imino)-2,3- Dihydrothiazol-4-Yl)Acetic Acid

All present enzymatic activity of Factor-Inhibiting Hypoxia-Inducible Factor in Complex with Zn(II) and 2-(3-Hydroxy-2-((1-(Phenylsulfonyl)Pyrrolidine-3-Carbonyl)Imino)-2,3- Dihydrothiazol-4-Yl)Acetic Acid:
1.14.11.30;

Protein crystallography data

The structure of Factor-Inhibiting Hypoxia-Inducible Factor in Complex with Zn(II) and 2-(3-Hydroxy-2-((1-(Phenylsulfonyl)Pyrrolidine-3-Carbonyl)Imino)-2,3- Dihydrothiazol-4-Yl)Acetic Acid, PDB code: 8k73 was solved by Y.Nakashima, T.P.Corner, R.Z.R.Teo, L.Brewitz, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 61.24 / 2.02
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 86.609, 86.609, 145.259, 90, 90, 90
R / Rfree (%) 20.1 / 22.3

Zinc Binding Sites:

The binding sites of Zinc atom in the Factor-Inhibiting Hypoxia-Inducible Factor in Complex with Zn(II) and 2-(3-Hydroxy-2-((1-(Phenylsulfonyl)Pyrrolidine-3-Carbonyl)Imino)-2,3- Dihydrothiazol-4-Yl)Acetic Acid (pdb code 8k73). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Factor-Inhibiting Hypoxia-Inducible Factor in Complex with Zn(II) and 2-(3-Hydroxy-2-((1-(Phenylsulfonyl)Pyrrolidine-3-Carbonyl)Imino)-2,3- Dihydrothiazol-4-Yl)Acetic Acid, PDB code: 8k73:

Zinc binding site 1 out of 1 in 8k73

Go back to Zinc Binding Sites List in 8k73
Zinc binding site 1 out of 1 in the Factor-Inhibiting Hypoxia-Inducible Factor in Complex with Zn(II) and 2-(3-Hydroxy-2-((1-(Phenylsulfonyl)Pyrrolidine-3-Carbonyl)Imino)-2,3- Dihydrothiazol-4-Yl)Acetic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Factor-Inhibiting Hypoxia-Inducible Factor in Complex with Zn(II) and 2-(3-Hydroxy-2-((1-(Phenylsulfonyl)Pyrrolidine-3-Carbonyl)Imino)-2,3- Dihydrothiazol-4-Yl)Acetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn410

b:55.3
occ:1.00
 O06 A:VK6411 1.8 65.1 1.0
OD2 A:ASP201 2.0 62.9 1.0
NE2 A:HIS199 2.2 66.3 1.0
NE2 A:HIS279 2.3 53.2 1.0
N05 A:VK6411 2.7 67.9 1.0
CG A:ASP201 2.7 55.9 1.0
N10 A:VK6411 2.8 80.5 1.0
OD1 A:ASP201 2.8 61.5 1.0
C09 A:VK6411 3.1 76.4 1.0
CE1 A:HIS199 3.1 63.5 1.0
CD2 A:HIS199 3.2 59.3 1.0
CE1 A:HIS279 3.3 52.3 1.0
CD2 A:HIS279 3.3 53.4 1.0
C13 A:VK6411 4.0 85.3 1.0
C11 A:VK6411 4.0 87.5 1.0
CH2 A:TRP296 4.1 62.6 0.4
O A:HOH521 4.1 63.3 1.0
ND1 A:HIS199 4.2 60.5 1.0
C04 A:VK6411 4.2 65.3 1.0
CB A:ASP201 4.2 52.6 1.0
CG A:HIS199 4.2 61.2 1.0
ND1 A:HIS279 4.4 52.5 1.0
CG A:HIS279 4.4 52.1 1.0
CZ2 A:TRP296 4.5 63.7 0.6
O2 A:GOL406 4.6 99.6 1.0
S08 A:VK6411 4.6 72.9 1.0
C12 A:VK6411 4.6 87.0 1.0
CZ3 A:TRP296 4.7 61.8 0.4
C03 A:VK6411 5.0 61.8 1.0

Reference:

T.P.Corner, R.Z.R.Teo, Y.Wu, E.Salah, Y.Nakashima, G.Fiorini, A.Tumber, A.Brasnett, J.P.Holt-Martyn, W.D.Figg Jr., X.Zhang, L.Brewitz, C.J.Schofield. Structure-Guided Optimisation of N -Hydroxythiazole-Derived Inhibitors of Factor Inhibiting Hypoxia-Inducible Factor-Alpha. Chem Sci V. 14 12098 2023.
ISSN: ISSN 2041-6520
PubMed: 37969593
DOI: 10.1039/D3SC04253G
Page generated: Thu Dec 28 13:28:52 2023

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