3UNX: Subtilisin Carlsberg

Bond length analysis of asp, glu and his residues in subtilisin Carlsberg at 1.26A resolution. Determined by X-ray diffraction at 1.26 Å resolution. Released 27 Jun 2012.

Method: X-ray diffraction
Resolution: 1.26 Å
Organism: Bacillus licheniformis
Chains: 1
Atoms: 2,340
Mol. weight: 27.75 kDa
Ligands: CA
Released: 27 Jun 2012

Explore 3UNX in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3UNX contains 11 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: 11 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	64-73	10
β-strand	89-94	6	1
α-helix	104-116	13
β-strand	121-124	4	1
β-strand	128	1	2
α-helix	133-144	12
β-strand	148-152	5	1
β-strand	167	1	2
β-strand	175-180	6	1
α-helix	185	1
β-strand	186	1	1
α-helix	187	1
β-strand	196-201	6	1
β-strand	205-209	5	3
β-strand	213-217	5	3
α-helix	220-237	18
α-helix	243-252	10
β-strand	255	1	1
α-helix	260-263	4
β-strand	267	1	1
α-helix	270-273	4

Molecules and chains

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

Sequence of entity 1 (A), FASTA

>3UNX_1 Subtilisin Carlsberg (chains A)
AQTVPYGIPLIKADKVQAQGFKGANVKVAVLDTGIQASHPDLNVVGGASFVAGEAYNTDG
NGHGTHVAGTVAALDNTTGVLGVAPSVSLYAVKVLNSSGSGSYSGIVSGIEWATTNGMDV
INMSLGGASGSTAMKQAVDNAYARGVVVVAAAGNSGSSGSTNTIGYPAKYDSVIAVGAVD
SNSNRASFSSVGAELEVMAPGAGVYSTYPTNTYATLNGTSMASPHVAGAAALILSKHPNL
SASQVRNRLSSTATYLGSSFYYGKGLINVEAAAQ

Ligands and cofactors

ID	Name	Formula	Copies
CA	Calcium ion	Ca	2

Water and common crystallization additives (NA, GOL) are not listed.

Primary citation

Protonation-state determination in proteins using high-resolution X-ray crystallography: effects of resolution and completeness. Fisher, S.J., Blakeley, M.P., Cianci, M. et al. Acta Crystallogr D Biol Crystallogr (2012) 68:800-809. DOI 10.1107/S0907444912012589 · PubMed

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…
6DWQ 1.27 Å, Subtilisin serine protease modified with the protease inhibitor…
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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