1R0R: Subtilisin carlsberg

1.1 Angstrom Resolution Structure of the Complex Between the Protein Inhibitor, OMTKY3, and the Serine Protease, Subtilisin Carlsberg. Determined by X-ray diffraction at 1.1 Å resolution. Released 11 Nov 2003.

Method: X-ray diffraction
Resolution: 1.1 Å
Organisms: Bacillus licheniformis, Meleagris gallopavo
Chains: 2
Atoms: 2,773
Mol. weight: 33.05 kDa
Ligands: CA
Released: 11 Nov 2003

Explore 1R0R in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

1R0R contains 12 α-helices and 22 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 E: 11 helices, 18 β-strands

Element	Residues	Length	Sheet
β-strand	2	1	1
α-helix	7-10	4
α-helix	13-19	7
β-strand	27-32	6	2
β-strand	44-49	6	2
α-helix	64-73	10
β-strand	80	1	1
β-strand	89-94	6	2
β-strand	101-102	2	3
α-helix	104-116	13
β-strand	121-124	4	2
β-strand	126-127	2	3
β-strand	128	1	4
α-helix	133-144	12
β-strand	148-152	5	2
β-strand	167	1	4
β-strand	175-180	6	2
α-helix	185	1
β-strand	186	1	2
α-helix	187	1
β-strand	196-201	6	2
β-strand	205-209	5	5
β-strand	213-217	5	5
α-helix	220-237	18
α-helix	243-252	10
β-strand	255	1	2
α-helix	260-263	4
β-strand	267	1	2
α-helix	270-273	4

Chain I: 1 helix, 4 β-strands

Element	Residues	Length	Sheet
β-strand	15-17	3	3
β-strand	23-25	3	6
β-strand	30-31	2	6
α-helix	34-43	10
β-strand	50-53	4	6

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
subtilisin carlsberg	E	protein	274	Bacillus licheniformis	P00780 (AlphaFold model)
Ovomucoid	I	protein	51	Meleagris gallopavo	P68390 (AlphaFold model)

Sequence of entity 1 (E), FASTA

>1R0R_1 subtilisin carlsberg (chains E)
AQTVPYGIPLIKADKVQAQGFKGANVKVAVLDTGIQASHPDLNVVGGASFVAGEAYNTDG
NGHGTHVAGTVAALDNTTGVLGVAPSVSLYAVKVLNSSGSGSYSGIVSGIEWATTNGMDV
INMSLGGASGSTAMKQAVDNAYARGVVVVAAAGNSGNSGSTNTIGYPAKYDSVIAVGAVD
SNSNRASFSSVGAELEVMAPGAGVYSTYPTNTYATLNGTSMASPHVAGAAALILSKHPNL
SASQVRNRLSSTATYLGSSFYYGKGLINVEAAAQ

Sequence of entity 2 (I), FASTA

>1R0R_2 Ovomucoid (chains I)
VDCSEYPKPACTLEYRPLCGSDNKTYGNKCNFCNAVVESNGTLTLSHFGKC

Ligands and cofactors

ID	Name	Formula	Copies
CA	Calcium ion	Ca	4

Primary citation

Structure and energetics of protein-protein interactions: the role of conformational heterogeneity in OMTKY3 binding to serine proteases. Horn, J.R., Ramaswamy, S., Murphy, K.P. J Mol Biol (2003) 331:497-508. DOI 10.1016/S0022-2836(03)00783-6 · PubMed

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

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…
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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