Zinc in PDB 8k72: Factor-Inhibiting Hypoxia-Inducible Factor in Complex with Zn(II) and 2-(3-Hydroxy-2-((3-(Phenylsulfonamido)Propanoyl)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-((3-(Phenylsulfonamido)Propanoyl)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-((3-(Phenylsulfonamido)Propanoyl)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-((3-(Phenylsulfonamido)Propanoyl)Imino)-2,3- Dihydrothiazol-4-Yl)Acetic Acid, PDB code: 8k72 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 / 2.45
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 86.61, 86.61, 145.05, 90, 90, 90
R / Rfree (%) 20 / 23.9

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-((3-(Phenylsulfonamido)Propanoyl)Imino)-2,3- Dihydrothiazol-4-Yl)Acetic Acid (pdb code 8k72). 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-((3-(Phenylsulfonamido)Propanoyl)Imino)-2,3- Dihydrothiazol-4-Yl)Acetic Acid, PDB code: 8k72:

Zinc binding site 1 out of 1 in 8k72

Go back to Zinc Binding Sites List in 8k72
Zinc binding site 1 out of 1 in the Factor-Inhibiting Hypoxia-Inducible Factor in Complex with Zn(II) and 2-(3-Hydroxy-2-((3-(Phenylsulfonamido)Propanoyl)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-((3-(Phenylsulfonamido)Propanoyl)Imino)-2,3- Dihydrothiazol-4-Yl)Acetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn409

b:69.1
occ:1.00
 O01 A:VJF410 1.9 74.6 1.0
OD2 A:ASP201 2.0 98.8 1.0
NE2 A:HIS279 2.3 68.8 1.0
NE2 A:HIS199 2.3 68.4 1.0
N11 A:VJF410 2.5 90.4 1.0
N02 A:VJF410 2.6 76.9 1.0
CG A:ASP201 2.7 87.9 1.0
OD1 A:ASP201 2.8 89.5 1.0
C10 A:VJF410 2.9 83.3 1.0
CE1 A:HIS279 3.2 69.0 1.0
CE1 A:HIS199 3.2 71.0 1.0
CD2 A:HIS199 3.3 68.8 1.0
CD2 A:HIS279 3.4 69.7 1.0
O A:HOH515 3.7 84.2 1.0
C12 A:VJF410 3.8 94.4 1.0
O A:HOH512 3.8 88.6 1.0
CH2 A:TRP296 4.0 79.5 0.5
CB A:ASP201 4.1 81.1 1.0
C13 A:VJF410 4.1 94.9 1.0
ND1 A:HIS199 4.3 69.5 1.0
C03 A:VJF410 4.3 75.9 1.0
CG A:HIS199 4.3 69.1 1.0
O A:HOH546 4.3 91.8 1.0
ND1 A:HIS279 4.4 70.6 1.0
CZ2 A:TRP296 4.4 80.3 0.5
C14 A:VJF410 4.5 97.5 1.0
CG A:HIS279 4.5 68.9 1.0
S09 A:VJF410 4.6 82.6 1.0
CZ3 A:TRP296 4.7 78.2 0.5
O25 A:VJF410 4.8 98.8 1.0
CZ2 A:TRP296 4.9 80.7 0.5
N A:ASP201 5.0 75.8 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 Oct 31 08:37:16 2024

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