Structure for peptidase C30.005: SARS coronavirus picornain 3C-like peptidase

Summary Alignment Tree Sequences Sequence features Distribution Structure Literature Substrates Pharma

PDB	Organism	Resolution	Comment
1UJ1_A	SARS coronavirus	1.90 Å	mature
One molecule of the homodimer is shown. Catalytic residues are shown in ball-and-stick representation: His3281 in purple and Cys3385 in yellow.

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TERTIARY STRUCTURE DATA
Comment	Resolution	PDB	PDBe	SCOP	CATH	PDBSum	Proteopedia	Reference
SARS coronavirus
mature peptidase	0.00 Å	1P9T	1P9T	1P9T	1P9T	1P9T	1P9T
mature peptidase	2.37 Å	1P9U	1P9U	1P9U	1P9U	1P9U	1P9U	Anand et al., 2003
mature peptidase	0.00 Å	1PA5	1PA5	1PA5	1PA5	1PA5	1PA5
mature peptidase	1.86 Å	1Q2W	1Q2W	1Q2W	1Q2W	1Q2W	1Q2W
mature peptidase	1.90 Å	1UJ1	1UJ1	1UJ1	1UJ1	1UJ1	1UJ1	Yang et al., 2003
at pH 8	2.20 Å	1UK2	1UK2	1UK2	1UK2	1UK2	1UK2	Yang et al., 2003
at pH 7.6	2.40 Å	1UK3	1UK3	1UK3	1UK3	1UK3	1UK3	Yang et al., 2003
complex with inhibitor Asn-Ser-Thr-Leu-Gln	2.50 Å	1UK4	1UK4	1UK4	1UK4	1UK4	1UK4	Yang et al., 2003
complex with inhibitor N1	2.00 Å	1WOF	1WOF	1WOF	1WOF	1WOF	1WOF	Yang et al., 2005
mature peptidase	2.80 Å	1Z1I	1Z1I	1Z1I	1Z1I	1Z1I	1Z1I	Hsu et al., 2005
Cys145Ala mutant	2.80 Å	1Z1J	1Z1J	1Z1J	1Z1J	1Z1J	1Z1J	Hsu et al., 2005
mature peptidase	2.08 Å	2A5A	2A5A	2A5A	2A5A	2A5A	2A5A	Lee et al., 2005
complex with Aza-peptide epoxide	1.88 Å	2A5I	2A5I	2A5I	2A5I	2A5I	2A5I	Lee et al., 2005
complex with Aza-peptide epoxide	2.30 Å	2A5K	2A5K	2A5K	2A5K	2A5K	2A5K	Lee et al., 2005
complex with N-((3S,6R)-6-((S,E)-4-ethoxycarbonyl-1-((S)-2-oxopyrrolidin-3-yl)but-3-en-2-ylcarbamoyl)-2,9-dimethyl-4-oxodec-8-en-3-yl)-5-methylisoxazole-3-carboxamide	1.90 Å	2ALV	2ALV	2ALV	2ALV	2ALV	2ALV	Ghosh et al., 2005
complex with an inhibitor N9	1.85 Å	2AMD	2AMD	2AMD	2AMD	2AMD	2AMD	Yang et al., 2005
complex with an inhibitor N3	2.30 Å	2AMQ	2AMQ	2AMQ	2AMQ	2AMQ	2AMQ	Yang et al., 2005
mature peptidase	2.00 Å	2BX3	2BX3	2BX3	2BX3	2BX3	2BX3	Tan et al., 2005
mature peptidase	2.79 Å	2BX4	2BX4	2BX4	2BX4	2BX4	2BX4	Tan et al., 2005
at pH 6.5	1.90 Å	2C3S	2C3S	2C3S	2C3S	2C3S	2C3S	Xu et al., 2005
acylated form	2.17 Å	2CGG	2CGG	2CGG	2CGG	2CGG	2CGG	Verschueren et al., 2008
complex with ethyl (2E,4S)-4-[((2R)-2-[N-(tert-butoxycarbonyl)-L-valyl]amino-2-phenylethanoyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate	2.70 Å	2D2D	2D2D	2D2D	2D2D	2D2D	2D2D	Yang et al., 2005
mature peptidase	1.70 Å	2DUC	2DUC	2DUC	2DUC	2DUC	2DUC
at pH 6.0	1.82 Å	2GT7	2GT7	2GT7	2GT7	2GT7	2GT7	Lee et al., 2007
mature peptidase	2.00 Å	2GT8	2GT8	2GT8	2GT8	2GT8	2GT8	Lee et al., 2007
complex with Aza-peptide inhibitor (5S,8S,14R)-ethyl 11-(3-amino-3-oxopropyl)-8-benzyl-14-hydroxy-5-isobutyl-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan-15-oate	2.00 Å	2GTB	2GTB	2GTB	2GTB	2GTB	2GTB	Lee et al., 2007
complex with inhibitor	1.93 Å	2GX4	2GX4	2GX4	2GX4	2GX4	2GX4
structure-based drug design and structural biology study of novel nonpeptide inhibitors of sars-cov main protease	1.86 Å	2GZ7	2GZ7	2GZ7	2GZ7	2GZ7	2GZ7	Lu et al., 2006
structure-based drug design and structural biology study of novel nonpeptide inhibitors of sars-cov main protease	1.97 Å	2GZ8	2GZ8	2GZ8	2GZ8	2GZ8	2GZ8	Lu et al., 2006
structure-based drug design and structural biology study of novel nonpeptide inhibitors of sars-cov main protease	2.17 Å	2GZ9	2GZ9	2GZ9	2GZ9	2GZ9	2GZ9	Lu et al., 2006
mature peptidase	1.60 Å	2H2Z	2H2Z	2H2Z	2H2Z	2H2Z	2H2Z	Xue et al., 2007
complex with a Michael acceptor N3	1.95 Å	2HOB	2HOB	2HOB	2HOB	2HOB	2HOB	Xue et al., 2007
substrate specificity profiling and identification of a new class of inhibitor for the major protease of the sars coronavirus	1.80 Å	2OP9	2OP9	2OP9	2OP9	2OP9	2OP9	Goetz et al., 2007
His3281Ala mutant; complex with an N-terminal substrate	2.50 Å	2Q6G	2Q6G	2Q6G	2Q6G	2Q6G	2Q6G	Xue et al., 2008
crystal structures of the sars-coronavirus main proteinase inactivated by benzotriazole compounds	1.98 Å	2V6N	2V6N	2V6N	2V6N	2V6N	2V6N	Verschueren et al., 2008
a structural view of the inactivation of the sars- coronavirus main proteinase by benzotriazole esters	2.25 Å	2VJ1	2VJ1	2VJ1	2VJ1	2VJ1	2VJ1	Verschueren et al., 2008
a mechanistic view of enzyme inhibition and peptide hydrolysis in the active site of the sars-cov 3c-like peptidase	1.79 Å	2Z3C	2Z3C	2Z3C	2Z3C	2Z3C	2Z3C	Yin et al., 2007
a mechanistic view of enzyme inhibition and peptide hydrolysis in the active site of the sars-cov 3c-like peptidase	2.10 Å	2Z3D	2Z3D	2Z3D	2Z3D	2Z3D	2Z3D	Yin et al., 2007
a mechanistic view of enzyme inhibition and peptide hydrolysis in the active site of the sars-cov 3c-like peptidase	2.32 Å	2Z3E	2Z3E	2Z3E	2Z3E	2Z3E	2Z3E	Yin et al., 2007
a special dimerization of sars-cov main protease c-terminal domain due to domain-swapping	2.40 Å	3EBN	3EBN	3EBN	3EBN	3EBN	3EBN
complex with a bromobenzoyl (s,r)-n- decalin type inhibitor	2.42 Å	4TWW	4TWW	4TWW	4TWW	4TWW	4TWW
complex with a phenylbenzoyl (s,r)-n- decalin type inhibitor	1.60 Å	4TWY	4TWY	4TWY	4TWY	4TWY	4TWY
complex with a phenylbenzoyl (r,s)-n- decalin type inhibitor	1.89 Å	4WY3	4WY3	4WY3	4WY3	4WY3	4WY3
crystal structure of ms8104	2.20 Å	5B6O	5B6O	5B6O	5B6O	5B6O	5B6O
complex with a phenyl-beta-alanyl (r, s)-n-decalin type inhibitor	1.69 Å	5C5N	5C5N	5C5N	5C5N	5C5N	5C5N
complex with a phenyl-beta-alanyl (s, r)-n-decalin type inhibitor	1.50 Å	5C5O	5C5O	5C5O	5C5O	5C5O	5C5O
structure of sars plpro bound to a lys48-linked di-ubiquitin activity based probe	2.85 Å	5E6J	5E6J	5E6J	5E6J	5E6J	5E6J
complex with the alpha-ketoamide (s)-n-benzyl-3-((s)-2-cinnamamido-3-phenylpropanamido)-2- oxo-4-((s)-2-oxopyrrolidin-3-yl)butanamide	1.62 Å	5N19	5N19	5N19	5N19	5N19	5N19
complex with the alpha-ketoamide (s)-n-benzyl-3-((s)-2-cinnamamido-3- cyclopropylpropanamido)-2-oxo-4-((s)-2-oxopyrrolidin-3-yl)butanamide (cinnamoyl-cyclopropylalanine-glnlactam-co-co-nh-benzyl)	2.00 Å	5N5O	5N5O	5N5O	5N5O	5N5O	5N5O
complex with thec-terminal domain of human isg15	2.62 Å	5TL6	5TL6	5TL6	5TL6	5TL6	5TL6
complex with c- terminal domain mouse isg15	2.44 Å	5TL7	5TL7	5TL7	5TL7	5TL7	5TL7