2DDF: TACE

Crystal structure of TACE in complex with TAPI-2. Determined by X-ray diffraction at 1.7 Å resolution. Released 14 Mar 2006.

Method: X-ray diffraction
Resolution: 1.7 Å
Organism: Homo sapiens
Chains: 2
Atoms: 4,323
Mol. weight: 59.52 kDa
Ligands: ZN, CA, INN, IPA
Released: 14 Mar 2006

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

Secondary structure: helices and β-sheets

2DDF contains 26 α-helices and 24 β-strands across 2 chains. 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: 12 helices, 10 β-strands

Element	Residues	Length	Sheet
β-strand	224-231	8	1
α-helix	233-238	6
α-helix	244-263	20
β-strand	276-284	9	1
α-helix	288-290	3
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
β-strand	368-371	4	2
β-strand	376-379	4	2
β-strand	382-386	5	1
β-strand	388-389	2	3
β-strand	392-393	2	3
α-helix	394-395	2
α-helix	396-410	15
α-helix	415-417	3
α-helix	427-429	3
α-helix	439-440	2
α-helix	452-469	18
β-strand	471	1	1

Chain B: 14 helices, 14 β-strands

Element	Residues	Length	Sheet
β-strand	224-231	8	4
α-helix	233-238	6
α-helix	244-263	20
β-strand	276-284	9	4
α-helix	288	1
β-strand	289	1	5
α-helix	290	1
β-strand	300	1	5
α-helix	314-324	11
α-helix	326-329	4
β-strand	334-339	6	4
α-helix	344-346	3
β-strand	349-351	3	4
β-strand	368-371	4	6
β-strand	376-379	4	6
β-strand	382-386	5	4
β-strand	388-389	2	7
β-strand	392-393	2	7
α-helix	394-395	2
α-helix	396-410	15
α-helix	415-417	3
β-strand	421	1	8
β-strand	424	1	8
α-helix	427-429	3
α-helix	439-440	2
α-helix	445-448	4
α-helix	452-469	18
β-strand	471	1	4

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Adam 17	A, B	protein	257	Homo sapiens	P78536 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>2DDF_1 ADAM 17 (chains A, B)
PDPMKNTCKLLVVADHRFYRYMGRGEESTTTNYLIELIDRVDDIYRNTAWDNAGFKGYGI
QIEQIRILKSPQEVKPGEKHYNMAKSYPNEEKDAWDVKMLLEQFSFDIAEEASKVCLAHL
FTYQDFDMGTLGLAYGGSPRANSHGGVCPKAYYSPVGKKNIYLNSGLTSTKNYGKTILTK
EADLVTTHELGHNFGAEHDPDGLAECAPNEDQGGKYVMYPIAVSGDHENNKMFSQCSKQS
IYKTIESKAQECFQERS

Ligands and cofactors

ID	Name	Formula	Copies
ZN	Zinc ion	Zn	2
CA	Calcium ion	Ca	1
INN	N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(…	C19 H37 N5 O5	2
IPA	Isopropyl alcohol	C3 H8 O	4
CIT	Citric acid	C6 H8 O7	1

Water and common crystallization additives (IMD) are not listed.

Primary citation

Stabilization of the autoproteolysis of TNF-alpha converting enzyme (TACE) results in a novel crystal form suitable for structure-based drug design studies. Ingram, R.N., Orth, P., Strickland, C.L. et al. Protein Eng Des Sel (2006) 19:155-161. DOI 10.1093/protein/gzj014 · PubMed

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

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…
3L0T 1.92 Å, Crystal structure of catalytic domain of TACE with hydantoin inhibitor

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