1SIB: Subtilisin novo

Refined crystal structures of subtilisin novo in complex with wild-type and two mutant eglins. Comparison with other serine proteinase inhibitor complexes. Determined by X-ray diffraction at 2.4 Å resolution. Released 31 Oct 1993.

Method: X-ray diffraction
Resolution: 2.4 Å
Organisms: Bacillus subtilis, Hirudo medicinalis
Chains: 2
Atoms: 2,655
Mol. weight: 35.7 kDa
Ligands: CA
Released: 31 Oct 1993

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

Secondary structure: helices and β-sheets

1SIB contains 12 α-helices and 31 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, 23 β-strands

Element	Residues	Length	Sheet
α-helix	6-10	5
α-helix	14-17	4
β-strand	27-32	6	1
β-strand	44-49	6	1
β-strand	51	1	2
β-strand	54	1	2
α-helix	64-73	10
β-strand	89-94	6	1
β-strand	101	1	3
α-helix	104-117	14
β-strand	121-124	4	1
β-strand	126-127	2	3
β-strand	128	1	4
α-helix	133-144	12
β-strand	148-152	5	1
β-strand	159	1	5
β-strand	161	1	5
β-strand	167	1	4
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	1	6
β-strand	208-209	2	7
β-strand	213-214	2	7
β-strand	217	1	6
β-strand	218-219	2	8
α-helix	223-234	12
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

Chain I: 1 helix, 8 β-strands

Element	Residues	Length	Sheet
β-strand	9	1	9
β-strand	17	1	10
α-helix	18-28	11
β-strand	33-38	6	9
β-strand	43-44	2	3
β-strand	46-47	2	8
β-strand	51-56	6	9
β-strand	62	1	10
β-strand	68-69	2	9

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Subtilisin novo bpn'	E	protein	275	Bacillus subtilis	P00782 (AlphaFold model)
Eglin C	I	protein	70	Hirudo medicinalis	P01051 (AlphaFold model)

Sequence of entity 1 (E), FASTA

>1SIB_1 SUBTILISIN NOVO BPN' (chains E)
AQSVPYGVSQIKAPALHSQGYTGSNVKVAVIDSGIDSSHPDLKVAGGASMVPSETNPFQD
NNSHGTHVAGTVAALNNSIGVLGVAPSASLYAVKVLGADGSGQYSWIINGIEWAIANNMD
VINMSLGGPSGSAALKAAVDKAVASGVVVVAAAGNEGTSGSSSTVGYPGKYPSVIAVGAV
DSSNQRASFSSVGPELDVMAPGVSIQSTLPGNKYGAYNGTSMASPHVAGAAALILSKHPN
WTNTQVRSSLENTTTKLGDSFYYGKGLINVQAAAQ

Sequence of entity 2 (I), FASTA

>1SIB_2 EGLIN C (chains I)
TEFGSELKSFPEVVGKTVDQAREYFTLHYPQYDVYFLPEGSPVTLDLRYNRVKVFYNPGT
NVVNHVPHVG

Ligands and cofactors

ID	Name	Formula	Copies
CA	Calcium ion	Ca	2

Primary citation

Refined crystal structures of subtilisin novo in complex with wild-type and two mutant eglins. Comparison with other serine proteinase inhibitor complexes. Heinz, D.W., Priestle, J.P., Rahuel, J. et al. J Mol Biol (1991) 217:353-371. DOI 10.1016/0022-2836(91)90549-L · PubMed

Other PDB entries of the same protein (UniProt P00782 (AlphaFold model), which also has an AlphaFold model), best resolution first:

1TO2 1.3 Å, crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59K,…
1TM5 1.45 Å, crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59A…
1LW6 1.5 Å, Crystal Structure of the Complex of Subtilisin BPN' with Chymotrypsin Inhibitor 2 at 1.5…
1V5I 1.5 Å, Crystal structure of serine protease inhibitor POIA1 in complex with subtilisin BPN'
1Y34 1.55 Å, Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 E60A…
8H7O 1.55 Å, Crystal structure of aqualigase
1Y1K 1.56 Å, Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 T58A…
1TM3 1.57 Å, crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59k…
1TM7 1.59 Å, crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59Y…
1SUP 1.6 Å, Subtilisin bpn' at 1.6 Å resolution: analysis of discrete disorder and comparison of…
1Y4A 1.6 Å, Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2…
7AM3 1.61 Å, Crystal structure of Peptiligase mutant - M222P

Browse structure collections

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