5ABW: Neutrophil elastase

Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases. Determined by X-ray diffraction at 1.6 Å resolution. Released 19 Aug 2015.

Method: X-ray diffraction
Resolution: 1.6 Å
Organism: HOMO SAPIENS
Chains: 1
Atoms: 2,067
Mol. weight: 24.52 kDa
Ligands: WQQ
Released: 19 Aug 2015

Explore 5ABW in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5ABW contains 9 α-helices and 23 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: 9 helices, 23 β-strands

Element	Residues	Length	Sheet
β-strand	17	1	1
β-strand	20-21	2	2
α-helix	22-23	2
β-strand	30-35	6	3
β-strand	39-48	10	3
β-strand	51-54	4	3
α-helix	56-59	4
α-helix	63A-63C	3
β-strand	65-68	4	3
β-strand	72	1	4
β-strand	81-90	10	3
β-strand	95	1	5
β-strand	100	1	5
β-strand	104-108	5	3
β-strand	115	1	6
β-strand	118	1	6
α-helix	120-122	3
α-helix	124-125	2
α-helix	130-131	2
β-strand	135-140	6	2
β-strand	143	1	7
β-strand	151	1	7
β-strand	154	1	4
β-strand	156-163	8	2
β-strand	181-184	4	2
β-strand	189	1	1
β-strand	198-201	4	2
β-strand	208-215	8	2
α-helix	225	1
β-strand	226-230	5	2
α-helix	231-234	4
α-helix	235-242	8

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Neutrophil elastase	A	protein	218	HOMO SAPIENS	P08246 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>5ABW_1 NEUTROPHIL ELASTASE (chains A)
IVGGRRARPHAWPFMVSLQLRGGHFCGATLIAPNFVMSAAHCVANVNVRAVRVVLGAHNL
SRREPTRQVFAVQRIFENGYDPVNLLNDIVILQLNGSATINANVQVAQLPAQGRRLGNGV
QCLAMGWGLLGRNRGIASVLQELNVTVVTSLCRRSNVCTLVRGRQAGVCFGDSGSPLVCN
GLIHGIASFVRGGCASGLYPDAFAPVAQFVNWIDSIIQ

Ligands and cofactors

ID	Name	Formula	Copies
WQQ	1-(3-chlorophenyl)-5-(3,5-dimethylisoxazol-4-yl)-6-methyl-N-[4-(methylsulfonyl)…	C26 H24 Cl N3 O5 S	1

Water and common crystallization additives (CL) are not listed.

Primary citation

Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases: Into clinical testing with pre-adaptive pharmacophores. von Nussbaum, F., Li, V.M. Bioorg Med Chem Lett (2015) 25:4370-4381. DOI 10.1016/j.bmcl.2015.08.049 · PubMed

Other PDB entries of the same protein (UniProt P08246 (AlphaFold model), which also has an AlphaFold model), best resolution first:

9SI4 1.14 Å, Structure of human neutrophil elastase in complex with a…
8VK5 1.56 Å, Human Sputum Leucocyte Elastase (uncomplexed)
4WVP 1.63 Å, Crystal structure of an activity-based probe HNE complex
2Z7F 1.7 Å, Crystal structure of the complex of human neutrophil elastase with 1/2SLPI
9ASS 1.75 Å, Crystal Structure of Neutrophil Elastase Inhibited by Eap4 from S. aureus
5A0A 1.78 Å, Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone…
1PPF 1.8 Å, X-ray crystal structure of the complex of human leukocyte elastase (pmn elastase) and…
2RG3 1.8 Å, Covalent complex structure of elastase
8G25 1.8 Å, Crystal Structure of Cathepsin-G and Neutrophil Elastase Inhibited by S. aureus EapH2 at…
5A09 1.81 Å, Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone…
8G24 1.82 Å, Crystal Structure of Cathepsin-G and Neutrophil Elastase Inhibited by S. aureus EapH2 at…
1HNE 1.84 Å, Structure of human neutrophil elastase in complex with a peptide chloromethyl ketone…

Browse structure collections

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