2OP9: Replicase polyprotein 1ab 3C-like proteinase

Substrate Specificity Profiling and Identification of a New Class of Inhibitor for the Major Protease of the SARS Coronavirus. Determined by X-ray diffraction at 1.8 Å resolution. Released 17 Jul 2007.

Method: X-ray diffraction
Resolution: 1.8 Å
Organism: SARS coronavirus
Chains: 2
Atoms: 5,198
Mol. weight: 67.63 kDa
Ligands: WR1
Released: 17 Jul 2007

Explore 2OP9 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

2OP9 contains 32 α-helices and 42 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 A: 15 helices, 21 β-strands

Element	Residues	Length	Sheet
β-strand	1	1	1
β-strand	7	1	2
α-helix	11-14	4
β-strand	17-22	6	3
β-strand	25-32	8	3
β-strand	35-39	5	3
α-helix	40-43	4
α-helix	46-49	4
α-helix	54-59	6
α-helix	63-65	3
β-strand	66-70	5	3
β-strand	73-75	3	3
β-strand	77-83	7	3
β-strand	86-91	6	3
β-strand	100-103	4	4
α-helix	106-107	2
β-strand	111-118	8	4
β-strand	121-130	10	4
β-strand	136	1	4
β-strand	148-153	6	4
β-strand	156-166	11	4
β-strand	172-175	4	4
α-helix	180	1
β-strand	181	1	4
β-strand	199	1	5
α-helix	201-213	13
α-helix	227-234	8
α-helix	235-237	3
β-strand	239	1	5
α-helix	240-242	3
α-helix	244-249	6
α-helix	251-257	7
α-helix	261-274	14
β-strand	281	1	6
β-strand	284	1	6
α-helix	293-300	8

Chain B: 17 helices, 21 β-strands

Element	Residues	Length	Sheet
β-strand	7	1	4
α-helix	8-9	2
α-helix	11-14	4
β-strand	17-22	6	7
β-strand	25-32	8	7
β-strand	35-39	5	7
α-helix	40-43	4
α-helix	54-59	6
α-helix	63-65	3
β-strand	66-70	5	7
β-strand	73-75	3	7
α-helix	76	1
β-strand	77-83	7	7
β-strand	86-91	6	7
α-helix	98-99	2
β-strand	101-103	3	2
α-helix	105-107	3
β-strand	111-118	8	2
β-strand	121-130	10	2
β-strand	136	1	2
β-strand	140	1	1
β-strand	148-152	5	2
β-strand	157-166	10	2
β-strand	172-175	4	2
α-helix	180	1
β-strand	181	1	2
α-helix	194-196	3
β-strand	199	1	8
α-helix	201-213	13
α-helix	227-236	10
β-strand	239	1	8
α-helix	240-242	3
α-helix	244-249	6
α-helix	251-257	7
α-helix	261-274	14
β-strand	281	1	9
β-strand	284	1	9
α-helix	293-300	8

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Replicase polyprotein 1ab (pp1ab, ORF1AB) 3C-like proteinase (3CL-PRO, 3CLp)	A, B	protein	302	SARS coronavirus	P0C6U8

Sequence of entity 1 (A, B), FASTA

>2OP9_1 Replicase polyprotein 1ab (pp1ab, ORF1AB) 3C-like proteinase (3CL-PRO, 3CLp) (chains A, B)
ASGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDTVYCPRHVICTAEDMLNPNYEDLLI
RKSNHSFLVQAGNVQLRVIGHSMQNCLLRLKVDTSNPKTPKYKFVRIQPGQTFSVLACYN
GSPSGVYQCAMRPNHTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEG
KFYGPFVDRQTAQAAGTDTTITLNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNY
EPLTQDHVDILGPLSAQTGIAVLDMCAALKELLQNGMNGRTILGSTILEDEFTPFDVVRQ
CS

Ligands and cofactors

ID	Name	Formula	Copies
WR1	Nalpha-[(benzyloxy)carbonyl]-N-[(1R)-4-hydroxy-1-methyl-2-oxobutyl]-L-phenylala…	C22 H26 N2 O5	2

Primary citation

Substrate Specificity Profiling and Identification of a New Class of Inhibitor for the Major Protease of the SARS Coronavirus. Goetz, D.H., Choe, Y., Hansell, E. et al. Biochemistry (2007) 46:8744-8752. DOI 10.1021/bi0621415 · PubMed

Other PDB entries of the same protein (UniProt P0C6U8), best resolution first:

6XHN 1.38 Å, Covalent complex of SARS-CoV main protease with 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)…
4M0W 1.4 Å, Crystal Structure of SARS-CoV papain-like protease C112S mutant in complex with ubiquitin
6XHO 1.45 Å, Covalent complex of SARS-CoV main protease with ethyl (4R)-4-({N-[(4-methoxy-1H-indol-2-y…
6XHL 1.47 Å, Covalent complex of SARS-CoV main protease with N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)…
4MDS 1.6 Å, Discovery of N-(benzo[1,2,3]triazol-1-yl)-N-(benzyl)acetamido)phenyl) carboxamides as…
2H2Z 1.6 Å, Crystal structure of SARS-CoV main protease with authentic N and C-termini
7LMG 1.6 Å, SARS-CoV-1 3CLPro in complex with N-(4-(1H-imidazol-4-yl)phenyl)-2-(1H-benzo[d][1,2,3]tri…
7RC1 1.63 Å, X-ray Structure of SARS-CoV main protease covalently modified by compound GRL-0686
5Y3E 1.65 Å, Crystal structure of SARS coronavirus papain-like protease in complex with glycerol
5Y3Q 1.65 Å, Crystal structure of SARS coronavirus papain-like protease conjugated with…
6W2A 1.65 Å, 1.65 A resolution structure of SARS-CoV 3CL protease in complex with inhibitor 7j
7LMJ 1.69 Å, SARS-CoV-1 3CLPro in complex with 2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(3-chlorobenzyl)-N…

Browse structure collections

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