6DWQ: KerA

Subtilisin serine protease modified with the protease inhibitor cyanobenzylsulfonylfluoride. Determined by X-ray diffraction at 1.27 Å resolution. Released 3 Jul 2019.

Method: X-ray diffraction
Resolution: 1.27 Å
Organism: Bacillus licheniformis
Chains: 1
Atoms: 2,473
Mol. weight: 28.5 kDa
Ligands: CA
Released: 3 Jul 2019

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

Secondary structure: helices and β-sheets

6DWQ contains 12 α-helices and 14 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: 12 helices, 14 β-strands

Element	Residues	Length	Sheet
α-helix	7-10	4
α-helix	13-18	6
β-strand	27-32	6	1
β-strand	44-49	6	1
α-helix	63-72	10
β-strand	88-93	6	1
α-helix	103-115	13
β-strand	120-123	4	1
β-strand	127	1	2
α-helix	132-143	12
β-strand	147-151	5	1
β-strand	166	1	2
β-strand	174-179	6	1
α-helix	184	1
β-strand	185	1	1
α-helix	186	1
β-strand	195-200	6	1
β-strand	204-208	5	3
β-strand	212-216	5	3
α-helix	219-236	18
α-helix	242-251	10
β-strand	254	1	1
α-helix	255	1
α-helix	259-262	4
β-strand	266	1	1
α-helix	269-272	4

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
KerA	A	protein	274	Bacillus licheniformis	P00780 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>6DWQ_1 KerA (chains A)
AQTVPYGIPLIKADKVQAQGFKGANVKVAVLDTGIQASHPDLNVVGGASFVAGEAYNTDG
NGHGTHVAGTVAALDNTTGVLGVAPSVSLYAVKVLNSSGSGSYSGIVSGIEWATTNGMDV
INMSLGGASGSTAMKQAVDNAYARGVVVVAAAGNSGNSGSTNTIGYPAKYDSVIAVGAVD
SNSNRASFSSVGAELEVMAPGAGVYSTYPTNTYATLNGTXMASPHVAGAAALILSKHPNL
SASQVRNRLSSTATYLGSSFYYGKGLINVEAAAQ

Ligands and cofactors

ID	Name	Formula	Copies
CA	Calcium ion	Ca	2

Water and common crystallization additives (NO3, EDO) are not listed.

Primary citation

Paired Spectroscopic and Crystallographic Studies of Protease Active Sites. Luo, M., Eaton, C.N., Hess, K.R. et al. ChemistrySelect (2019) 4:9836-9843.

Other PDB entries of the same protein (UniProt P00780 (AlphaFold model), which also has an AlphaFold model), best resolution first:

1R0R 1.1 Å, 1.1 Angstrom Resolution Structure of the Complex Between the Protein Inhibitor, OMTKY3,…
1CSE 1.2 Å, The high-resolution X-ray crystal structure of the complex formed between subtilisin…
3UNX 1.26 Å, Bond length analysis of asp, glu and his residues in subtilisin Carlsberg at 1.26A…
1YU6 1.55 Å, Crystal Structure of the Subtilisin Carlsberg:OMTKY3 Complex
2SEC 1.8 Å, Structural comparison of two serine proteinase-protein inhibitor complexes.…
1SCN 1.9 Å, Inactivation of subtilisin carlsberg by N-(tert-butoxycarbonyl-alanyl-prolyl-phenylalanyl…
1AVT 2.0 Å, Subtilisin carlsberg D-para-chlorophenyl-1-acetamido boronic acid inhibitor complex
1SCA 2.0 Å, Enzyme crystal structure in a neat organic solvent
1SEL 2.0 Å, Crystal structure of selenosubtilisin at 2.0-Å resolution
1VSB 2.1 Å, Subtilisin carlsberg L-para-chlorophenyl-1-acetamido boronic acid inhibitor complex
1BE6 2.15 Å, Trans-cinnamoyl-subtilisin in anhydrous acetonitrile
1C3L 2.16 Å, Subtilisin-carlsberg complexed with xenon (8 bar)

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