8H7O: Aqualigase

Crystal structure of aqualigase. Determined by X-ray diffraction at 1.55 Å resolution. Released 1 Nov 2023.

Method: X-ray diffraction
Resolution: 1.55 Å
Organism: Bacillus subtilis
Chains: 1
Atoms: 2,311
Mol. weight: 28.52 kDa
Ligands: IPA, CA
Released: 1 Nov 2023

Explore 8H7O in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8H7O contains 11 α-helices and 18 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, 18 β-strands

Element	Residues	Length	Sheet
α-helix	6-10	5
α-helix	13-18	6
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
α-helix	104-116	13
β-strand	121-124	4	1
β-strand	128	1	3
α-helix	133-144	12
β-strand	148-152	5	1
β-strand	159	1	4
β-strand	162	1	4
β-strand	167	1	3
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	5
β-strand	213-217	5	5
α-helix	220-237	18
α-helix	243-251	9
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	A	protein	281	Bacillus subtilis	P00782 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>8H7O_1 Subtilisin (chains A)
AQSVPYGVSQIKAPALHSQGYTGSNVKVAVIDSGIDSSHPDLKVAGGASMVPSETNPFQD
NLLHGTHVAGTVAALNNSIGVLGVAPSASLYAVKVLGADGSGQYSWIINGIEWAIANNMD
VINMSLGGPSGSAALKAAVDKAVASGVVVVAAAGNEGTSGSSSTVGYPGKYPSVIAVGAV
DSSNQRASFSSVGPELDVMAPGVSIQSTLPGNKYGALFGTSMASAHVAGAAALILSKHPN
WTNTQVRSSLENTTTKLGDSFYYGKGLINVQAAAQHHHHHH

Ligands and cofactors

ID	Name	Formula	Copies
IPA	Isopropyl alcohol	C3 H8 O	2
CA	Calcium ion	Ca	1

Primary citation

Crystal structure of aqualigase. Li, H., Ma, M.Z., Zhang, L.J. et al. To be published.

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…
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
1TMG 1.67 Å, crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59F…

Browse structure collections

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