1CAQ: Protein

X-ray structure of human stromelysin catalytic domain complexes with non-peptide inhibitors: implication for inhibitor selectivity. Determined by X-ray diffraction at 1.8 Å resolution. Released 7 Jul 1999.

Method: X-ray diffraction
Resolution: 1.8 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,459
Mol. weight: 19.74 kDa
Ligands: DPS, CA, ZN
Released: 7 Jul 1999

Explore 1CAQ in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

1CAQ contains 4 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: 4 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
β-strand	178-181	4	2
β-strand	186-187	2	3
β-strand	193-194	2	3
α-helix	195-206	12
β-strand	209	1	1
α-helix	229-231	3
α-helix	236-246	11

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Protein (stromelysin-1)	A	protein	168	Homo sapiens	P08254 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>1CAQ_1 PROTEIN (STROMELYSIN-1) (chains A)
FRTFPGIPKWRKTHLTYRIVNYTPDLPKDAVDSAVEKALKVWEEVTPLTFSRLYEGEADI
MISFAVREHGDFYPFDGPGNVLAHAYAPGPGINGDAHFDDDEQWTKDTTGTNLFLVAAHE
IGHSLGLFHSANTEALMYPLYHSLTDLTRFRLSQDDINGIQSLYGPPP

Ligands and cofactors

ID	Name	Formula	Copies
DPS	3-(1H-indol-3-yl)-2-[4-(4-phenyl-piperidin-1-yl)-benzenesulfonylamino]-propioni…	C28 H29 N3 O4 S	1
CA	Calcium ion	Ca	3
ZN	Zinc ion	Zn	2

Water and common crystallization additives (SO4) are not listed.

Primary citation

X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity. Pavlovsky, A.G., Williams, M.G., Ye, Q.Z. et al. Protein Sci (1999) 8:1455-1462. 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…
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…
1CQR 2.0 Å, Crystal structure of the stromelysin catalytic domain at 2.0 a resolution

Browse structure collections

About this viewer

MolViewer shows 1CAQ directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.