2USN: Stromelysin-1

Crystal structure of the catalytic domain of human fibroblast stromelysin-1 inhibited with thiadiazole inhibitor pnu-141803. Determined by X-ray diffraction at 2.2 Å resolution. Released 23 Dec 1998.

Method: X-ray diffraction
Resolution: 2.2 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,430
Mol. weight: 19.33 kDa
Ligands: IN8, CA, ZN
Released: 23 Dec 1998

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

Secondary structure: helices and β-sheets

2USN contains 6 α-helices and 9 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: 6 helices, 9 β-strands

Element	Residues	Length	Sheet
β-strand	85	1	1
β-strand	96-101	6	2
α-helix	110-125	16
β-strand	131-134	4	2
β-strand	142-147	6	2
β-strand	165-167	3	2
α-helix	168-169	2
β-strand	178-181	4	2
β-strand	186-187	2	3
β-strand	193-194	2	3
α-helix	195-207	13
β-strand	209	1	1
α-helix	223-226	4
α-helix	229-231	3
α-helix	236-246	11

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Stromelysin-1	A	protein	165	Homo sapiens	P08254 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>2USN_1 STROMELYSIN-1 (chains A)
FRTFPGIPKWRKTHLTYRIVNYTPDLPKDAVDSAVEKALKVWEEVTPLTFSRLYEGEADI
MISFAVREHGDFYPFDGPGNVLAHAYAPGPGINGDAHFDDDEQWTKDTTGTNLFLVAAHE
IGHSLGLFHSANTEALMYPLYHSLTDLTRFRLSQDDINGIQSLYG

Ligands and cofactors

ID	Name	Formula	Copies
IN8	[2-(5-mercapto-[1,3,4]THIADIAZOL-2-ylcarbamoyl)-1-phenyl-ethyl]-carbamic acid…	C19 H18 N4 O3 S2	1
CA	Calcium ion	Ca	3
ZN	Zinc ion	Zn	3

Primary citation

Structural characterizations of nonpeptidic thiadiazole inhibitors of matrix metalloproteinases reveal the basis for stromelysin selectivity. Finzel, B.C., Baldwin, E.T., Bryant Jr., G.L. et al. Protein Sci (1998) 7:2118-2126. PubMed

Other PDB entries of the same protein (UniProt P08254 (AlphaFold model), which also has an AlphaFold model), best resolution first:

1HY7 1.5 Å, A carboxylic acid based inhibitor in complex with MMP3
1CIZ 1.64 Å, X-ray structure of human stromelysin catalytic domain complexes with non-peptide…
1HFS 1.7 Å, Crystal structure of the catalytic domain of human fibroblast stromelysin-1 inhibited…
1CAQ 1.8 Å, X-ray structure of human stromelysin catalytic domain complexes with non-peptide…
1USN 1.8 Å, Crystal structure of the catalytic domain of human fibroblast stromelysin-1 inhibited…
1C3I 1.83 Å, Human stromelysin-1 catalytic domain complexed with ro-26-2812
4G9L 1.88 Å, Structure of MMP3 complexed with NNGH inhibitor.
1G49 1.9 Å, A carboxylic acid based inhibitor in complex with MMP3
1SLM 1.9 Å, Crystal structure of fibroblast stromelysin-1: the C-truncated human proenzyme
4DPE 1.96 Å, Structure of MMP3 complexed with a platinum-based inhibitor.
4JA1 1.96 Å, Structure of MMP3 complexed with a platinum-based inhibitor
1B8Y 2.0 Å, X-ray structure of human stromelysin catalytic domain complexed with non-peptide…

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