1G49: A carboxylic acid based inhibitor

A carboxylic acid based inhibitor in complex with MMP3. Determined by X-ray diffraction at 1.9 Å resolution. Released 24 Oct 2001.

Method: X-ray diffraction
Resolution: 1.9 Å
Organism: Homo sapiens
Chains: 2
Atoms: 2,871
Mol. weight: 39.77 kDa
Ligands: ZN, CA, 111
Released: 24 Oct 2001

Explore 1G49 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

1G49 contains 7 α-helices and 20 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: 4 helices, 10 β-strands

Element	Residues	Length	Sheet
β-strand	85	1	1
β-strand	96-101	6	2
β-strand	104	1	3
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	4
β-strand	193-194	2	4
α-helix	195-207	13
β-strand	209	1	1
α-helix	236-246	11

Chain B: 3 helices, 10 β-strands

Element	Residues	Length	Sheet
β-strand	585	1	5
β-strand	596-601	6	6
β-strand	604	1	3
α-helix	610-625	16
β-strand	631-634	4	6
β-strand	642-647	6	6
β-strand	665-667	3	6
β-strand	678-681	4	6
β-strand	686-687	2	7
β-strand	693-694	2	7
α-helix	695-706	12
β-strand	709	1	5
α-helix	736-746	11

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Matrix metalloproteinase 3	A, B	protein	173	Homo sapiens	P08254 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>1G49_1 MATRIX METALLOPROTEINASE 3 (chains A, B)
FRTFPGIPKWRKTHLTYRIVNYTPDLPKDAVDSAVEKALKVWEEVTPLTFSRLYEGEADI
MISFAVREHGDFYPFDGPGNVLAHAYAPGPGINGDAHFDDDEQWTKDTTGTNLFLVAAHE
IGHSLGLFHSANTEALMYPLYHSLTDLTRFRLSQDDINGIQSLYGPPPDSPET

Ligands and cofactors

ID	Name	Formula	Copies
ZN	Zinc ion	Zn	4
CA	Calcium ion	Ca	6
111	(1N)-4-N-butoxyphenylsulfonyl-(2R)-N-hydroxycarboxamido-(4S)-methanesulfonylami…	C16 H25 N3 O7 S2	1

Primary citation

Development of new hydroxamate matrix metalloproteinase inhibitors derived from functionalized 4-aminoprolines. Natchus, M.G., Bookland, R.G., De, B. et al. J Med Chem (2000) 43:4948-4963. DOI 10.1021/jm000246e · 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.
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

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