6YMR: Thermolysin

Structural and Kinetic Evaluation of Phosphoramidate Inhibitors on Thermolysin. Determined by X-ray diffraction at 1.6 Å resolution. Released 21 Apr 2021.

Method: X-ray diffraction
Resolution: 1.6 Å
Organism: Geobacillus stearothermophilus
Chains: 1
Atoms: 2,783
Mol. weight: 35.25 kDa
Ligands: OZE, CA, ZN
Released: 21 Apr 2021

Explore 6YMR in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6YMR contains 14 α-helices and 17 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 E: 14 helices, 17 β-strands

Element	Residues	Length	Sheet
β-strand	4-11	8	1
β-strand	17-25	9	1
β-strand	27-29	3	1
β-strand	31-32	2	2
β-strand	39-43	5	2
β-strand	53-54	2	2
β-strand	56-57	2	1
β-strand	61-62	2	1
α-helix	65-67	3
α-helix	68-88	21
α-helix	98-99	2
β-strand	100-106	7	2
β-strand	113-115	3	2
β-strand	120-123	4	2
β-strand	130	1	3
α-helix	133-135	3
α-helix	137-151	15
α-helix	159-180	22
β-strand	187-188	2	4
β-strand	193	1	3
β-strand	203-204	2	4
α-helix	208-211	4
α-helix	217-219	3
α-helix	225-229	5
α-helix	234-246	13
β-strand	248-250	3	5
β-strand	253-255	3	5
α-helix	260-269	10
α-helix	270-274	5
α-helix	281-296	16
α-helix	301-312	12

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Thermolysin	E	protein	316	Geobacillus stearothermophilus	P43133 (AlphaFold model)

Sequence of entity 1 (E), FASTA

>6YMR_1 Thermolysin (chains E)
ITGTSTVGVGRGVLGDQKNINTTYSTYYYLQDNTRGNGIFTYDAKYRTTLPGSLWADADN
QFFASYDAPAVDAHYYAGVTYDYYKNVHNRLSYDGNNAAIRSSVHYSQGYNNAFWNGSQM
VYGDGDGQTFIPLSGGIDVVAHELTHAVTDYTAGLIYQNESGAINEAISDIFGTLVEFYA
NKNPDWEIGEDVYTPGISGDSLRSMSDPAKYGDPDHYSKRYTGTQDNGGVHINSGIINKA
AYLISQGGTHYGVSVVGIGRDKLGKIFYRALTQYLTPTSNFSQLRAAAVQSATDLYGSTS
QEVASVKQAFDAVGVK

Ligands and cofactors

ID	Name	Formula	Copies
OZE	(((R)-1-(((benzyloxy)carbonyl)amino)-2-phenylethyl)oxidophosphoryl)glycyl-L-leu…	C24 H32 N3 O7 P	1
CA	Calcium ion	Ca	4
ZN	Zinc ion	Zn	1

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

Primary citation

Structural and Kinetic Evaluation of Phosphoramidate Inhibitors on Thermolysin. Kljajic, M., Gerber, H.-D., Heine, A. et al. To be published.

Other PDB entries of the same protein (UniProt P43133 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6GHX 1.16 Å, Alzheimer's Amyloid-Beta Peptide Fragment 31-35 in Complex with Cd-substituted Thermolysin
6Y4I 1.16 Å, Structural and Kinetic Evaluation of Phosphoramidate Inhibitors on Thermolysin
5ONQ 1.17 Å, Alzheimer's Amyloid-Beta Peptide Fragment 29-40 in Complex with Cd-substituted Thermolysin
6YMS 1.32 Å, Structural and Kinetic Evaluation of Phosphoramidate Inhibitors on Thermolysin
5ONP 1.34 Å, Alzheimer's Amyloid-Beta Peptide Fragment 1-40 in Complex with Cd-substituted Thermolysin
6FSM 1.39 Å, Crystal structure of TCE-treated Thermolysin
6YI6 1.44 Å, Structural and Kinetic Evaluation of Phosphoramidate Inhibitors on Thermolysin
9P17 1.66 Å, Thermolysin Room-Temperature In-Situ, Shipped
6FHP 1.7 Å, DAIP in complex with a C-terminal fragment of thermolysin
9P16 1.73 Å, Thermolysin Room-Temperature In-Situ, Grown On-Site
9OZY 1.75 Å, Gradient equilibration of hexagonal thermolysin to low salt over 15 minutes
5WR5 1.9 Å, Thermolysin, liganded form with cryo condition 1

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