2OI0: TNF- a Converting Enzyme

Crystal structure analysis 0f the TNF-a Coverting Enzyme (TACE) in complexed with Aryl-sulfonamide. Determined by X-ray diffraction at 2.0 Å resolution. Released 27 Nov 2007.

Method: X-ray diffraction
Resolution: 2.0 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,270
Mol. weight: 30.41 kDa
Ligands: ZN, 283
Released: 27 Nov 2007

Explore 2OI0 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

2OI0 contains 15 α-helices and 12 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 15 helices, 12 β-strands

Element	Residues	Length	Sheet
α-helix	220-222	3
β-strand	224-231	8	1
α-helix	233-238	6
α-helix	244-263	20
β-strand	276-284	9	1
α-helix	288	1
β-strand	289	1	2
α-helix	290	1
β-strand	300	1	2
α-helix	314-324	11
α-helix	326-329	4
β-strand	334-339	6	1
α-helix	344-346	3
β-strand	349-351	3	1
α-helix	366-368	3
β-strand	369-371	3	3
β-strand	376-378	3	3
β-strand	382-386	5	1
β-strand	388-389	2	4
β-strand	392-393	2	4
α-helix	394-395	2
α-helix	396-410	15
α-helix	413-417	5
α-helix	427-429	3
α-helix	445-448	4
α-helix	452-469	18
β-strand	471	1	1

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
TNF- a Converting Enzyme (TACE)	A	protein	266	Homo sapiens	P78536 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>2OI0_1 TNF- a Converting Enzyme (TACE) (chains A)
ADPDPMKNTCKLLVVADHRFYRYMGRGEESTTTNYLIELIDRVDDIYRNTAWDNAGFKGY
GIQIEQIRILKSPQEVKPGEKHYNMAKSYPNEEKDAWDVKMLLEQFSFDIAEEASKVCLA
HLFTYQDFDMGTLGLAYVGSPRANSHGGVCPKAYYSPVGKKNIYLNSGLTSTKNYGKTIL
TKEADLVTTHELGHNFGAEHDPDGLAECAPNEDQGGKYVMYPIAVSGDHENNKMFSQCSK
QSIYKTIESKAQECFQERSNKVIEGR

Ligands and cofactors

ID	Name	Formula	Copies
ZN	Zinc ion	Zn	1
283	(3S)-1-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}pyrrolidine-3-thiol	C14 H17 N O3 S2	1

Primary citation

Novel thiol-based TACE inhibitors: rational design, synthesis, and SAR of thiol-containing aryl sulfonamides. Govinda Rao, B., Bandarage, U.K., Wang, T. et al. Bioorg Med Chem Lett (2007) 17:2250-2253. DOI 10.1016/j.bmcl.2007.01.064 · PubMed

Other PDB entries of the same protein (UniProt P78536 (AlphaFold model), which also has an AlphaFold model), best resolution first:

2DDF 1.7 Å, Crystal structure of TACE in complex with TAPI-2
8CQY 1.7 Å, Crystal structure of the PTPN3 PDZ domain bound to the PBM TACE C-terminal peptide
3L0V 1.75 Å, Crystal structure of catalytic domain of TACE with the first hydantoin inhibitor…
3EWJ 1.8 Å, Crystal structure of catalytic domain of TACE with carboxylate inhibitor
3KMC 1.8 Å, Crystal structure of catalytic domain of TACE with tartrate-based inhibitor
3KME 1.85 Å, Crystal structure of catalytic domain of TACE with phenyl-pyrrolidinyl-tartrate inhibitor
3LE9 1.85 Å, Crystal structure of the catalytic domain of TACE with Indazolinone-phenyl-hydantoin…
3O64 1.88 Å, Crystal structure of catalytic domain of TACE with 2-(2-Aminothiazol-4-yl)pyrrolidine-Bas…
2I47 1.9 Å, Crystal structure of catalytic domain of TACE with inhibitor
3E8R 1.9 Å, Crystal structure of catalytic domain of TACE with hydroxamate inhibitor
3EDZ 1.9 Å, Crystal structure of catalytic domain of TACE with hydroxamate inhibitor
3LGP 1.9 Å, Crystal structure of catalytic domain of tace with benzimidazolyl-thienyl-tartrate based…

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