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Structure for peptidase C14.003: caspase-3

Summary Gene structure Alignment Tree Sequences Sequence features Distribution Structure Literature Substrates Pharma

 

PDB Organism Resolution Comment
1CP3 Homo sapiens 2.30 Å complex with tetrapeptide inhibitor acetyl-Asp-Val-Ala-Asp-fluoromethylketone
One molecule of the dimer is shown. Catalytic residues are shown in ball-and-stick representation: His121 in purple and Cys163 in yellow. Bound inhibitor is shown in grey in ball-and-stick representation.
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TERTIARY STRUCTURE DATA
Comment Resolution PDB PDBe SCOP CATH PDBSum Proteopedia Reference
Danio rerio
zebra fish caspase-3 ***caveat 5jft caspase should be connected to the chloromethyl ketone ***caveat 2 5jft residual terminus of the inhibitor through hemithioacetal ***caveat 3 5jft bond, but the model does not reflect the ideal ***caveat 4 5jft hemithio 2.28 Å 5JFT 5JFT 5JFT 5JFT 5JFT 5JFT
Homo sapiens
complex with tetrapeptide inhibitor acetyl-Asp-Val-Ala-Asp-fluoromethylketone 2.30 Å 1CP3 1CP3 1CP3 1CP3 1CP3 1CP3 Mittl et al., 1997
complex with isatin sulfonamide inhibitor 1-methyl-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione 2.80 Å 1GFW 1GFW 1GFW 1GFW 1GFW 1GFW Lee et al., 2000
complex with BIRC-4 protein 2.70 Å 1I3O 1I3O 1I3O 1I3O 1I3O 1I3O Riedl et al., 2001
mature  peptidase 1.60 Å 1NME 1NME 1NME 1NME 1NME 1NME Erlanson et al., 2003
mature  peptidase 2.40 Å 1NMQ 1NMQ 1NMQ 1NMQ 1NMQ 1NMQ Erlanson et al., 2003
mature  peptidase 1.70 Å 1NMS 1NMS 1NMS 1NMS 1NMS 1NMS Erlanson et al., 2003
complex with acetyl-Asp-Glu-Val-Asp-CHO 2.50 Å 1PAU 1PAU 1PAU 1PAU 1PAU 1PAU Rotonda et al., 1996
mature  peptidase 1.90 Å 1QX3 1QX3 1QX3 1QX3 1QX3 1QX3 Ni et al., 2003
complex with nicotinic acid aldehyde (3S)-3-[(5-bromopyridin-3-yl)carbonyl]amino-4-oxobutanoic acid 2.50 Å 1RE1 1RE1 1RE1 1RE1 1RE1 1RE1 Becker et al., 2004
complex with pryazinone inhibitor 3-(2-5-tert-butyl-3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl-butyrylamino)-5-(hexyl-methyl-amino)-4-oxo-pentanoic acid anion 2.20 Å 1RHJ 1RHJ 1RHJ 1RHJ 1RHJ 1RHJ Becker et al., 2004
complex with phenyl- propyl-ketone N-acetyl-L-alpha-aspartyl-L-alpha-glutamyl-N-[(1S)-1-(carboxymethyl)-2-oxo-5-phenylpentyl]-L-valinamide 2.50 Å 1RHK 1RHK 1RHK 1RHK 1RHK 1RHK Becker et al., 2004
complex with nicotinic acid aldehyde 4-[5-(2-carboxy-1-formyl-ethylcarbamoyl)-pyridin-3-yl]-benzoic acid 2.50 Å 1RHM 1RHM 1RHM 1RHM 1RHM 1RHM Becker et al., 2004
complex with bromomethoxyphenyl inhibitor 5-S-benzyl-3-(N-[(5-bromo-2-methoxyphenyl)acetyl]- L-valylamino)-2,3-dideoxy-5-thio-D-erythro- pentonic acid 3.00 Å 1RHQ 1RHQ 1RHQ 1RHQ 1RHQ 1RHQ Becker et al., 2004
complex with cinnamic acid methyl ester (3S)-5-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-[N-(2-ethoxy-5-[(1E)-3-methoxy-3-oxoprop-1-enyl]phenylacetyl)-D-valyl]amino-4-oxopentanoic acid 3.00 Å 1RHR 1RHR 1RHR 1RHR 1RHR 1RHR Becker et al., 2004
complex with 5,6,7 tricyclic peptidomimetic inhibitor (3S)-3-[((2S)-5-[(N-acetyl-L-alpha-aspartyl)amino]-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indol-2-ylcarbonyl)amino]-5-(benzylsulfanyl)-4-oxopentanoic acid 2.51 Å 1RHU 1RHU 1RHU 1RHU 1RHU 1RHU Becker et al., 2004
complex with (5S,8R,11S)-8-(2-carboxyethyl)-5-(carboxymethyl)-14-(4-ethoxy-4-oxobutanoyl)-11-(1-methylethyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,13,14-pentaazahexadecan-16-oic acid 1.77 Å 2C1E 2C1E 2C1E 2C1E 2C1E 2C1E Ekici et al., 2006
complex with (5S,8R,11S)-8-(2-carboxyethyl)-5-(carboxymethyl)-14-(4-ethoxy-4-oxobutanoyl)-11-(1-methylethyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,13,14-pentaazahexadecan-16-oic acid 1.87 Å 2C2K 2C2K 2C2K 2C2K 2C2K 2C2K Ekici et al., 2006
complex with (5S,8R,11S)-14-[4-(benzyloxy)-4-oxobutanoyl]-8-(2-carboxyethyl)-5-(carboxymethyl)-11-(1-methylethyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,13,14-pentaazahexadecan-16-oic acid 1.94 Å 2C2M 2C2M 2C2M 2C2M 2C2M 2C2M Ekici et al., 2006
complex with Cbz-Asp-Glu-Val-AAsp-CHCH-CON(CH3)CH2Ph 2.45 Å 2C2O 2C2O 2C2O 2C2O 2C2O 2C2O Ekici et al., 2006
complex with CBZ-Asp-Glu-Val-azaAsp-EP-CO-N(CH2PH)2 1.70 Å 2CDR 2CDR 2CDR 2CDR 2CDR 2CDR Ganesan et al., 2006
extended substrate recognition in caspase-3 revealed by high resolution x-ray structure analysis 1.70 Å 2CJX 2CJX 2CJX 2CJX 2CJX 2CJX Ganesan et al., 2006
extended substrate recognition in caspase-3 revealed by high resolution x-ray structure analysis 1.67 Å 2CJY 2CJY 2CJY 2CJY 2CJY 2CJY Ganesan et al., 2006
complex with CBZ-Asp-Glu-Val-azaAsp-EP-COO-CH2Ph 1.75 Å 2CNK 2CNK 2CNK 2CNK 2CNK 2CNK Ganesan et al., 2006
complex with CBZ-Asp-Glu-Val-azaAsp-EP-CO-NH-CH2Ph 1.67 Å 2CNL 2CNL 2CNL 2CNL 2CNL 2CNL Ganesan et al., 2006
complex with CBZ-Ile-Glu-Thr-azaAsp-EP-CO-Ala-NH-CH2-Ph 1.70 Å 2CNN 2CNN 2CNN 2CNN 2CNN 2CNN Ganesan et al., 2006
complex with CBZ-Glu-Val-azaAsp-(S,S)EP-CO-NHCH2CH2Ph 1.95 Å 2CNO 2CNO 2CNO 2CNO 2CNO 2CNO Ganesan et al., 2006
extended substrate recognition in caspase-3 revealed by high resolution x-ray structure analysis 1.06 Å 2DKO 2DKO 2DKO 2DKO 2DKO 2DKO Ganesan et al., 2006
complex with inhibitor Ac-DEVD-CHO 1.69 Å 2H5I 2H5I 2H5I 2H5I 2H5I 2H5I Fang et al., 2006
complex with inhibitor Ac-DMQD-CHO 2.00 Å 2H5J 2H5J 2H5J 2H5J 2H5J 2H5J Fang et al., 2006
complex with inhibitor Ac-VDVAD-CHO 2.30 Å 2H65 2H65 2H65 2H65 2H65 2H65 Fang et al., 2006
mature  peptidase 1.40 Å 2J30 2J30 2J30 2J30 2J30 2J30 Feeney et al., 2006
mature  peptidase 1.50 Å 2J31 2J31 2J31 2J31 2J31 2J31 Feeney et al., 2006
mature  peptidase 1.30 Å 2J32 2J32 2J32 2J32 2J32 2J32 Feeney et al., 2006
mature  peptidase 2.00 Å 2J33 2J33 2J33 2J33 2J33 2J33 Feeney et al., 2006
mature  peptidase 1.54 Å 2XYG 2XYG 2XYG 2XYG 2XYG 2XYG Ganesan et al., 2011
mature  peptidase 1.89 Å 2XYH 2XYH 2XYH 2XYH 2XYH 2XYH Ganesan et al., 2011
mature  peptidase 1.86 Å 2XYP 2XYP 2XYP 2XYP 2XYP 2XYP Ganesan et al., 2011
mature  peptidase 2.10 Å 2XZD 2XZD 2XZD 2XZD 2XZD 2XZD Schroeder et al., 2013
mature  peptidase 2.70 Å 2XZT 2XZT 2XZT 2XZT 2XZT 2XZT
mature  peptidase 2.10 Å 2Y0B 2Y0B 2Y0B 2Y0B 2Y0B 2Y0B Schroeder et al., 2013
mature  peptidase 2.50 Å 3DEH 3DEH 3DEH 3DEH 3DEH 3DEH Du et al., 2008
mature  peptidase 2.80 Å 3DEI 3DEI 3DEI 3DEI 3DEI 3DEI Du et al., 2008
mature  peptidase 2.60 Å 3DEJ 3DEJ 3DEJ 3DEJ 3DEJ 3DEJ Du et al., 2008
mature  peptidase 2.40 Å 3DEK 3DEK 3DEK 3DEK 3DEK 3DEK Du et al., 2008
complex with inhibitor Ac-LDESD-CHO 1.61 Å 3EDQ 3EDQ 3EDQ 3EDQ 3EDQ 3EDQ Fu et al., 2008
caspase-3 binds diverse p4 residues in peptides 2.60 Å 3GJQ 3GJQ 3GJQ 3GJQ 3GJQ 3GJQ Fang et al., 2009
caspase-3 binds diverse p4 residues in peptides 2.20 Å 3GJR 3GJR 3GJR 3GJR 3GJR 3GJR Fang et al., 2009
caspase-3 binds diverse p4 residues in peptides 1.90 Å 3GJS 3GJS 3GJS 3GJS 3GJS 3GJS Fang et al., 2009
caspase-3 binds diverse p4 residues in peptides 2.20 Å 3GJT 3GJT 3GJT 3GJT 3GJT 3GJT Fang et al., 2009
mature  peptidase 2.00 Å 3H0E 3H0E 3H0E 3H0E 3H0E 3H0E Havran et al., 2009
mature  peptidase 1.63 Å 3ITN 3ITN 3ITN 3ITN 3ITN 3ITN Walters et al., 2009
mature  peptidase 2.00 Å 3KJF 3KJF 3KJF 3KJF 3KJF 3KJF Wang et al., 2010
mature  peptidase 1.50 Å 3PCX 3PCX 3PCX 3PCX 3PCX 3PCX Walters et al., 2011
mature  peptidase 2.00 Å 3PD0 3PD0 3PD0 3PD0 3PD0 3PD0 Walters et al., 2011
mature  peptidase 1.62 Å 3PD1 3PD1 3PD1 3PD1 3PD1 3PD1 Walters et al., 2011
mature  peptidase 1.70 Å 4DCJ 4DCJ 4DCJ 4DCJ 4DCJ 4DCJ Kang et al., 2012
mature  peptidase 1.70 Å 4DCO 4DCO 4DCO 4DCO 4DCO 4DCO Kang et al., 2012
mature  peptidase 1.70 Å 4DCP 4DCP 4DCP 4DCP 4DCP 4DCP Kang et al., 2012
mature  peptidase 1.70 Å 4EHA 4EHA 4EHA 4EHA 4EHA 4EHA Walters et al., 2012
mature  peptidase 1.58 Å 4EHD 4EHD 4EHD 4EHD 4EHD 4EHD Walters et al., 2012
mature  peptidase 1.66 Å 4EHF 4EHF 4EHF 4EHF 4EHF 4EHF Walters et al., 2012
mature  peptidase 1.78 Å 4EHH 4EHH 4EHH 4EHH 4EHH 4EHH Walters et al., 2012
mature  peptidase 1.67 Å 4EHK 4EHK 4EHK 4EHK 4EHK 4EHK Walters et al., 2012
mature  peptidase 1.80 Å 4EHL 4EHL 4EHL 4EHL 4EHL 4EHL Walters et al., 2012
mature  peptidase 1.69 Å 4EHN 4EHN 4EHN 4EHN 4EHN 4EHN Walters et al., 2012
mature  peptidase 1.48 Å 4JJE 4JJE 4JJE 4JJE 4JJE 4JJE Vickers et al., 2013
mature  peptidase 2.50 Å 4JQY 4JQY 4JQY 4JQY 4JQY 4JQY Thomsen et al., 2013
mature  peptidase 2.89 Å 4JQZ 4JQZ 4JQZ 4JQZ 4JQZ 4JQZ Thomsen et al., 2013
mature  peptidase 1.80 Å 4JR0 4JR0 4JR0 4JR0 4JR0 4JR0 Thomsen et al., 2013
mature  peptidase 1.70 Å 4PRY 4PRY 4PRY 4PRY 4PRY 4PRY Vickers et al., 2014
mature  peptidase 1.63 Å 4PS0 4PS0 4PS0 4PS0 4PS0 4PS0 Vickers et al., 2014
mature  peptidase 1.97 Å 4QTX 4QTX 4QTX 4QTX 4QTX 4QTX Cade et al., 2014
mature  peptidase 1.60 Å 4QTY 4QTY 4QTY 4QTY 4QTY 4QTY Cade et al., 2014
mature  peptidase 1.95 Å 4QU0 4QU0 4QU0 4QU0 4QU0 4QU0 Cade et al., 2014
mature  peptidase 1.91 Å 4QU5 4QU5 4QU5 4QU5 4QU5 4QU5 Cade et al., 2014
mature  peptidase 1.72 Å 4QU8 4QU8 4QU8 4QU8 4QU8 4QU8 Cade et al., 2014
mature  peptidase 1.56 Å 4QU9 4QU9 4QU9 4QU9 4QU9 4QU9 Cade et al., 2014
mature  peptidase 1.89 Å 4QUA 4QUA 4QUA 4QUA 4QUA 4QUA Cade et al., 2014
mature  peptidase 1.69 Å 4QUB 4QUB 4QUB 4QUB 4QUB 4QUB Cade et al., 2014
mature  peptidase 2.00 Å 4QUD 4QUD 4QUD 4QUD 4QUD 4QUD Cade et al., 2014
mature  peptidase 1.84 Å 4QUE 4QUE 4QUE 4QUE 4QUE 4QUE Cade et al., 2014
mature  peptidase 1.92 Å 4QUG 4QUG 4QUG 4QUG 4QUG 4QUG Cade et al., 2014
mature  peptidase 1.76 Å 4QUH 4QUH 4QUH 4QUH 4QUH 4QUH Cade et al., 2014
mature  peptidase 1.76 Å 4QUI 4QUI 4QUI 4QUI 4QUI 4QUI Cade et al., 2014
mature  peptidase 1.50 Å 4QUJ 4QUJ 4QUJ 4QUJ 4QUJ 4QUJ Cade et al., 2014
mature  peptidase 1.90 Å 4QUL 4QUL 4QUL 4QUL 4QUL 4QUL Cade et al., 2014
Val266Ala mutant 1.80 Å 5I9B 5I9B 5I9B 5I9B 5I9B 5I9B
Val266Cys mutant 1.95 Å 5I9T 5I9T 5I9T 5I9T 5I9T 5I9T
Val266Asp mutant 1.79 Å 5IAB 5IAB 5IAB 5IAB 5IAB 5IAB
Val266Phe mutant 1.55 Å 5IAE 5IAE 5IAE 5IAE 5IAE 5IAE
Val266Gln mutant 1.98 Å 5IAG 5IAG 5IAG 5IAG 5IAG 5IAG
Val266Leu mutant 1.58 Å 5IAJ 5IAJ 5IAJ 5IAJ 5IAJ 5IAJ
Val266Ser mutant 1.82 Å 5IAK 5IAK 5IAK 5IAK 5IAK 5IAK
Val266Asn mutant 2.70 Å 5IAN 5IAN 5IAN 5IAN 5IAN 5IAN
Val266Trp mutant 1.76 Å 5IAR 5IAR 5IAR 5IAR 5IAR 5IAR
Val266Tyr mutant 1.54 Å 5IAS 5IAS 5IAS 5IAS 5IAS 5IAS
Val266Ile mutant 1.66 Å 5IBC 5IBC 5IBC 5IBC 5IBC 5IBC
Val266Met mutant 1.38 Å 5IBP 5IBP 5IBP 5IBP 5IBP 5IBP
Val266Lys mutant 1.74 Å 5IBR 5IBR 5IBR 5IBR 5IBR 5IBR
complex with DEVE peptide 2.65 Å 5IC4 5IC4 5IC4 5IC4 5IC4 5IC4
caspase-3 mutant - t245d,s249d 1.54 Å 6BFJ 6BFJ 6BFJ 6BFJ 6BFJ 6BFJ
caspase-3 mutant- t245a 1.75 Å 6BFK 6BFK 6BFK 6BFK 6BFK 6BFK
caspase-3 mutant- d9a,d28a,t245d 1.87 Å 6BFL 6BFL 6BFL 6BFL 6BFL 6BFL
caspase-3 mutant- t245d 1.54 Å 6BFO 6BFO 6BFO 6BFO 6BFO 6BFO
Asp9Ala/Asp28Ala/Ser150Asp mutant 2.13 Å 6BG0 6BG0 6BG0 6BG0 6BG0 6BG0
Asp9Ala/Asp28Ala/Ser150Glu mutant 1.88 Å 6BG1 6BG1 6BG1 6BG1 6BG1 6BG1
caspase-3 mutant- t152d 1.87 Å 6BG4 6BG4 6BG4 6BG4 6BG4 6BG4
caspase-3 mutant- d9a,d28a,t152d 1.87 Å 6BGK 6BGK 6BGK 6BGK 6BGK 6BGK
Ser150Asp mutant 1.97 Å 6BGQ 6BGQ 6BGQ 6BGQ 6BGQ 6BGQ
caspase-3 mutant - s150e 2.16 Å 6BGR 6BGR 6BGR 6BGR 6BGR 6BGR
caspase-3 mutant - s150y 1.60 Å 6BGS 6BGS 6BGS 6BGS 6BGS 6BGS
caspase-3 mutant - t152a 1.94 Å 6BH9 6BH9 6BH9 6BH9 6BH9 6BH9
caspase-3 mutant - t152v 1.60 Å 6BHA 6BHA 6BHA 6BHA 6BHA 6BHA
complex with ac-dw3-ke 1.50 Å 6CKZ 6CKZ 6CKZ 6CKZ 6CKZ 6CKZ
complex with ac-ats009-ke 1.50 Å 6CL0 6CL0 6CL0 6CL0 6CL0 6CL0

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