2DUC: SARS coronavirus main proteinase(3CLPRO)

Crystal structure of SARS coronavirus main proteinase(3CLPRO). Determined by X-ray diffraction at 1.7 Å resolution. Released 24 Jul 2007.

Method: X-ray diffraction
Resolution: 1.7 Å
Organism: SARS coronavirus
Chains: 2
Atoms: 5,193
Mol. weight: 67.75 kDa
Released: 24 Jul 2007

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

Secondary structure: helices and β-sheets

2DUC contains 33 α-helices and 40 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, 20 β-strands

Element	Residues	Length	Sheet
β-strand	7	1	1
α-helix	8-9	2
α-helix	11-14	4
β-strand	17-22	6	2
β-strand	25-32	8	2
β-strand	35-39	5	2
α-helix	40-43	4
α-helix	54-59	6
α-helix	63-65	3
β-strand	66-70	5	2
β-strand	73-75	3	2
β-strand	77-83	7	2
β-strand	86-91	6	2
α-helix	98-99	2
β-strand	100-103	4	3
α-helix	106-107	2
β-strand	111-118	8	3
β-strand	121-130	10	3
β-strand	136	1	3
β-strand	148-153	6	3
β-strand	156-166	11	3
β-strand	172-175	4	3
α-helix	180	1
β-strand	181	1	3
β-strand	199	1	4
α-helix	201-213	13
α-helix	227-236	10
β-strand	239	1	4
α-helix	240-242	3
α-helix	244-249	6
α-helix	251-257	7
α-helix	261-274	14
β-strand	281	1	5
β-strand	284	1	5
α-helix	293-300	8

Chain B: 18 helices, 20 β-strands

Element	Residues	Length	Sheet
α-helix	6	1
β-strand	7	1	3
α-helix	8-9	2
α-helix	11-14	4
β-strand	17-22	6	6
β-strand	25-32	8	6
β-strand	35-39	5	6
α-helix	40-43	4
α-helix	48-50	3
α-helix	54-59	6
α-helix	63-65	3
β-strand	66-70	5	6
β-strand	73-75	3	6
β-strand	77-83	7	6
β-strand	86-91	6	6
β-strand	100-103	4	1
α-helix	106-107	2
β-strand	111-118	8	1
β-strand	121-130	10	1
β-strand	136	1	1
α-helix	140-141	2
β-strand	148-153	6	1
β-strand	156-166	11	1
β-strand	172-175	4	1
α-helix	180	1
β-strand	181	1	1
β-strand	199	1	7
α-helix	201-213	13
α-helix	227-234	8
α-helix	235-237	3
β-strand	239	1	7
α-helix	240-242	3
α-helix	244-249	6
α-helix	251-257	7
α-helix	261-274	14
β-strand	281	1	8
β-strand	284	1	8
α-helix	293-299	7

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Replicase polyprotein 1ab	A, B	protein	306	SARS coronavirus	P0C6U8

Sequence of entity 1 (A, B), FASTA

>2DUC_1 Replicase polyprotein 1ab (chains A, B)
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDTVYCPRHVICTAEDMLNPNYEDLLIR
KSNHSFLVQAGNVQLRVIGHSMQNCLLRLKVDTSNPKTPKYKFVRIQPGQTFSVLACYNG
SPSGVYQCAMRPNHTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGK
FYGPFVDRQTAQAAGTDTTITLNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYE
PLTQDHVDILGPLSAQTGIAVLDMCAALKELLQNGMNGRTILGSTILEDEFTPFDVVRQC
SGVTFQ

Primary citation

SARS-CoV 3CL protease cleaves its C-terminal autoprocessing site by novel subsite cooperativity. Muramatsu, T., Takemoto, C., Kim, Y.T. et al. Proc Natl Acad Sci U S A (2016) 113:12997-13002. DOI 10.1073/pnas.1601327113 · 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…

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