Zinc in PDB 8k71: Factor-Inhibiting Hypoxia-Inducible Factor in Complex with Zn(II) and 2-(3-Hydroxy-2-((2-((Naphthalen-2-Ylmethyl)Sulfonyl)Acetyl)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-((2-((Naphthalen-2-Ylmethyl)Sulfonyl)Acetyl)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-((2-((Naphthalen-2-Ylmethyl)Sulfonyl)Acetyl)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-((2-((Naphthalen-2-Ylmethyl)Sulfonyl)Acetyl)Imino)-2, 3-Dihydrothiazol-4-Yl)Acetic Acid, PDB code: 8k71 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) 61.23 / 2.23
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 86.587, 86.587, 146.499, 90, 90, 90
R / Rfree (%) 20 / 23.6

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-((2-((Naphthalen-2-Ylmethyl)Sulfonyl)Acetyl)Imino)-2, 3-Dihydrothiazol-4-Yl)Acetic Acid (pdb code 8k71). 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-((2-((Naphthalen-2-Ylmethyl)Sulfonyl)Acetyl)Imino)-2, 3-Dihydrothiazol-4-Yl)Acetic Acid, PDB code: 8k71:

Zinc binding site 1 out of 1 in 8k71

Go back to Zinc Binding Sites List in 8k71
Zinc binding site 1 out of 1 in the Factor-Inhibiting Hypoxia-Inducible Factor in Complex with Zn(II) and 2-(3-Hydroxy-2-((2-((Naphthalen-2-Ylmethyl)Sulfonyl)Acetyl)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-((2-((Naphthalen-2-Ylmethyl)Sulfonyl)Acetyl)Imino)-2, 3-Dihydrothiazol-4-Yl)Acetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn501

b:61.4
occ:1.00
 O01 A:VIZ502 2.1 75.0 1.0
OD2 A:ASP201 2.1 68.5 1.0
NE2 A:HIS199 2.2 64.1 1.0
NE2 A:HIS279 2.3 64.7 1.0
N11 A:VIZ502 2.7 91.1 1.0
N02 A:VIZ502 2.8 71.7 1.0
CG A:ASP201 2.9 59.7 1.0
CE1 A:HIS199 3.0 61.7 1.0
OD1 A:ASP201 3.0 65.6 1.0
C10 A:VIZ502 3.1 79.5 1.0
CD2 A:HIS199 3.3 58.3 1.0
CD2 A:HIS279 3.3 65.1 1.0
CE1 A:HIS279 3.3 62.7 1.0
O A:HOH618 3.8 65.8 1.0
C12 A:VIZ502 3.9 104.0 1.0
CH2 A:TRP296 4.1 65.9 0.5
ND1 A:HIS199 4.1 58.0 1.0
C13 A:VIZ502 4.1 115.9 1.0
O26 A:VIZ502 4.2 124.1 1.0
CG A:HIS199 4.3 60.5 1.0
CB A:ASP201 4.3 51.7 1.0
C03 A:VIZ502 4.4 70.4 1.0
ND1 A:HIS279 4.4 65.5 1.0
CG A:HIS279 4.4 63.4 1.0
CZ2 A:TRP296 4.4 69.0 0.5
S09 A:VIZ502 4.7 76.9 1.0
S14 A:VIZ502 4.8 129.4 1.0
CZ2 A:TRP296 4.8 69.5 0.5
O28 A:VIZ502 4.9 108.1 1.0
CZ3 A:TRP296 4.9 64.6 0.5

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 Oct 31 08:37:04 2024

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