6TMN

Structures of two thermolysin-inhibitor complexes that differ by a single hydrogen bond

Summary for 6TMN

Entry DOI	10.2210/pdb6tmn/pdb
Related PRD ID	PRD_000655
Descriptor	THERMOLYSIN, N-[(2R,4S)-4-hydroxy-2-(2-methylpropyl)-4-oxido-7-oxo-9-phenyl-3,8-dioxa-6-aza-4-phosphanonan-1-oyl]-L-leucine, CALCIUM ION, ... (5 entities in total)
Functional Keywords	metalloproteinase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Bacillus thermoproteolyticus
Cellular location	Secreted: P00800
Total number of polymer chains	1
Total formula weight	35060.49
Authors	Tronrud, D.E.,Holden, H.M.,Matthews, B.W. (deposition date: 1987-06-29, release date: 1989-01-09, Last modification date: 2024-05-22)
Primary citation	Tronrud, D.E.,Holden, H.M.,Matthews, B.W. Structures of two thermolysin-inhibitor complexes that differ by a single hydrogen bond. Science, 235:571-574, 1987 Cited by PubMed Abstract: The mode of binding to thermolysin of the ester analog Cbz-GlyP-(O)-Leu-Leu has been determined by x-ray crystallography and shown to be virtually identical (maximum difference 0.2 angstrom) with the corresponding peptide analog Cbz-GlyP-(NH)-Leu-Leu. The two inhibitors provide a matched pair of enzyme-inhibitor complexes that differ by 4.1 kilocalories per mole in intrinsic binding energy but are essentially identical except for the presence or absence of a specific hydrogen bond. PubMed: 3810156 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.6 Å)

Structure validation