2Z94: Replicase polyprotein 1ab

Complex structure of SARS-CoV 3C-like protease with TDT. Determined by X-ray diffraction at 1.78 Å resolution. Released 25 Dec 2007.

Method: X-ray diffraction
Resolution: 1.78 Å
Organism: SARS coronavirus
Chains: 1
Atoms: 2,834
Mol. weight: 34.1 kDa
Ligands: ZN, TLD
Released: 25 Dec 2007

Explore 2Z94 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

2Z94 contains 17 α-helices and 19 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: 17 helices, 19 β-strands

Element	Residues	Length	Sheet
α-helix	7-9	3
α-helix	11-14	4
β-strand	17-22	6	1
β-strand	25-32	8	1
β-strand	35-39	5	1
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	1
β-strand	73-75	3	1
α-helix	76	1
β-strand	77-83	7	1
β-strand	86-91	6	1
α-helix	98-99	2
β-strand	100-103	4	2
α-helix	106-107	2
β-strand	111-118	8	2
β-strand	121-129	9	2
β-strand	136	1	2
β-strand	148-153	6	2
β-strand	156-166	11	2
β-strand	172-175	4	2
α-helix	180	1
β-strand	181	1	2
β-strand	199	1	3
α-helix	201-213	13
α-helix	227-236	10
β-strand	239	1	3
α-helix	240-242	3
α-helix	244-249	6
α-helix	251-257	7
α-helix	261-274	14
β-strand	281	1	4
β-strand	284	1	4
α-helix	293-299	7

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Replicase polyprotein 1ab	A	protein	306	SARS coronavirus	P0C6X7 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>2Z94_1 Replicase polyprotein 1ab (chains A)
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDTVYCPRHVICTAEDMLNPNYEDLLIR
KSNHSFLVQAGNVQLRVIGHSMQNCLLRLKVDTSNPKTPKYKFVRIQPGQTFSVLACYNG
SPSGVYQCAMRPNHTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGK
FYGPFVDRQTAQAAGTDTTITLNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYE
PLTQDHVDILGPLSAQTGIAVLDMCAALKELLQNGMNGRTILGSTILEDEFTPFDVVRQC
SGVTFQ

Ligands and cofactors

ID	Name	Formula	Copies
ZN	Zinc ion	Zn	1
TLD	4-methylbenzene-1,2-dithiol	C7 H8 S2	1

Primary citation

Structural basis of mercury- and zinc-conjugated complexes as SARS-CoV 3C-like protease inhibitors. Lee, C.C., Kuo, C.J., Hsu, M.F. et al. FEBS Lett (2007) 581:5454-5458. DOI 10.1016/j.febslet.2007.10.048 · PubMed

Other PDB entries of the same protein (UniProt P0C6X7 (AlphaFold model), which also has an AlphaFold model), best resolution first:

2ACF 1.4 Å, NMR structure of SARS-CoV non-structural protein NSP3A (SARS1) from SARS coronavirus
6W79 1.46 Å, Structure of SARS-CoV main protease bound to potent broad-spectrum non-covalent…
6WCO 1.48 Å, Structure of SARS main protease bound to inhibitor X47
5C5O 1.5 Å, Structure of SARS-3CL protease complex with a phenyl-beta-alanyl (S,R)-N-decalin type…
8CB3 1.57 Å, SARS-CoV Macro domain complexed with 3-(N-morpholino)propanesulfonic acid
3TNT 1.59 Å, Crystal structure of SARS coronavirus main protease complexed with an alpha,…
4TWY 1.6 Å, Structure of SARS-3CL protease complex with a phenylbenzoyl (S,R)-N-decalin type inhibitor
7FA1 1.6 Å, Crystal Structure of N-terminus of the non-structural protein 2 from SARS coronavirus
5N19 1.62 Å, Structure of SARS coronavirus main protease in complex with the alpha-ketoamide…
2ZU5 1.65 Å, complex structure of SARS-CoV 3CL protease with TG-0205486
8UFM 1.65 Å, Crystal Structure of L516C/Y647C Mutant of SARS-Unique Domain (SUD) from SARS-CoV-2
3SZN 1.69 Å, Crystal structure of SARS coronavirus main protease complexed with an alpha,…

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