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Structure for peptidase S01.215: coagulation factor VIIa

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

 

PDB Organism Resolution Comment
1DAN Homo sapiens 2.00 Å complex with soluble recombinant tissue factor
Only the peptidase molecule is shown. Catalytic residues are shown in ball-and-stick representation: His253 in purple, Asp302 in pink and Ser404 in orange. The light chain is shown in grey. The structural calcium ions are shown as yellow CPK spheres, chloride and cacodylate ions as green CPK spheres and carbohydrates as CPK spheres in orange. 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
Homo sapiens
NMR structure; N-terminal epidermal growth factor-like domain 0.00 Å 1BF9 1BF9 1BF9 1BF9 1BF9 1BF9 Muranyi et al., 1998
complex with Glu-Gly deoxy-methyl-Arg 2.80 Å 1CVW 1CVW 1CVW 1CVW 1CVW 1CVW Kemball-Cook et al., 1999
complex with soluble recombinant tissue factor 2.00 Å 1DAN 1DAN 1DAN 1DAN 1DAN 1DAN Banner et al., 1996
complex with peptide exosite inhibitor E-76 3.00 Å 1DVA 1DVA 1DVA 1DVA 1DVA 1DVA Dennis et al., 2000
NMR structure; first EGF-like domains 0.00 Å 1F7E 1F7E 1F7E 1F7E 1F7E 1F7E Kao et al., 1999
NMR structure; EGF-like domain 1 0.00 Å 1F7M 1F7M 1F7M 1F7M 1F7M 1F7M Kao et al., 1999
complex with tissue factor and basic pancreatic trypsin inhibitor 2.10 Å 1FAK 1FAK 1FAK 1FAK 1FAK 1FAK Zhang et al., 1999
NMR structure; first EGF-like domain 0.00 Å 1FF7 1FF7 1FF7 1FF7 1FF7 1FF7 Kao et al., 1999
NMR structure; EGF-like domain 1 0.00 Å 1FFM 1FFM 1FFM 1FFM 1FFM 1FFM Kao et al., 1999
complex with tissue factor 2.90 Å 1J9C 1J9C 1J9C 1J9C 1J9C 1J9C
precursor; complex with inhibitory exosite peptide A-183 2.00 Å 1JBU 1JBU 1JBU 1JBU 1JBU 1JBU Eigenbrot et al., 2001
mature  peptidase 1.69 Å 1KLI 1KLI 1KLI 1KLI 1KLI 1KLI Sichler et al., 2002
mature  peptidase 2.44 Å 1KLJ 1KLJ 1KLJ 1KLJ 1KLJ 1KLJ Sichler et al., 2002
mature  peptidase 0.00 Å 1NL8 1NL8 1NL8 1NL8 1NL8 1NL8
dissecting and designing inhibitor selectivity determinants at the s1 site using an artificial ala190 protease (ala190 upa) 2.05 Å 1O5D 1O5D 1O5D 1O5D 1O5D 1O5D Katz et al., 2004
complex with D-Phe-Phe-Arg 2.80 Å 1QFK 1QFK 1QFK 1QFK 1QFK 1QFK Pike et al., 1999
tf7a_3771 complex 2.50 Å 1W0Y 1W0Y 1W0Y 1W0Y 1W0Y 1W0Y Groebke et al., 2005
tf7a_4380 complex 3.00 Å 1W2K 1W2K 1W2K 1W2K 1W2K 1W2K Groebke et al., 2005
factor7- 413 complex 1.80 Å 1W7X 1W7X 1W7X 1W7X 1W7X 1W7X Zbinden et al., 2005
factor7- 413 complex 3.00 Å 1W8B 1W8B 1W8B 1W8B 1W8B 1W8B Zbinden et al., 2005
complex with tissue factor and propylsulfonamide-D-thr-met-p-aminobenzamidine 2.50 Å 1WQV 1WQV 1WQV 1WQV 1WQV 1WQV Kadono et al., 2004
human factor viia-tissue factor in complex with peprid mimetic inhibitor that has two charge groups in p2 and p4 2.60 Å 1WSS 1WSS 1WSS 1WSS 1WSS 1WSS Kadono et al., 2005
complex with tissue factor and ethylsulfonamide-D-biphenylalanine-gln-p-aminobenzamidine 2.20 Å 1WTG 1WTG 1WTG 1WTG 1WTG 1WTG Kadono et al., 2005
complex with tissue factor and ethylsulfonamide-D-Trp-Gln-p-aminobenzamidine 2.40 Å 1WUN 1WUN 1WUN 1WUN 1WUN 1WUN Kadono et al., 2005
complex with tissue factor and ethylsulfonamide-D-5-propoxy-trp-gln-p-aminobenzamidine 2.70 Å 1WV7 1WV7 1WV7 1WV7 1WV7 1WV7 Kadono et al., 2005
short factor viia with a small molecule inhibitor 2.00 Å 1YGC 1YGC 1YGC 1YGC 1YGC 1YGC Olivero et al., 2005
complex with tissue factor and pyrazinone inhibitor 2.00 Å 1Z6J 1Z6J 1Z6J 1Z6J 1Z6J 1Z6J Schweitzer et al., 2005
complex of active-site inhibited human coagulation factor viia with human soluble tissue factor in the presence of ca2+, mg2+, na+, and zn2+ 1.80 Å 2A2Q 2A2Q 2A2Q 2A2Q 2A2Q 2A2Q Bajaj et al., 2006
complex with tissue factor and 2-[[6-[3-(aminoiminomethyl)phenoxy]- 3,5-difluro-4-[(1-methyl-3-phenylpropyl)amino]-2- pyridinyl]oxy]-b 2.52 Å 2AEI 2AEI 2AEI 2AEI 2AEI 2AEI Kohrt et al., 2005
complex with benzamidine and soluble tissue factor 1.87 Å 2AER 2AER 2AER 2AER 2AER 2AER Bajaj et al., 2006
factor viia inhibitors: chemical optimization, preclinical pharmacokinetics, pharmacodynamics, and efficacy in a baboon thrombosis model 2.24 Å 2B7D 2B7D 2B7D 2B7D 2B7D 2B7D Young et al., 2006
complex with Glu-Gly-Arg-chloromethyl ketoneand soluble tissue factor 2.80 Å 2B8O 2B8O 2B8O 2B8O 2B8O 2B8O
orally available factor7a inhibitor 1.60 Å 2BZ6 2BZ6 2BZ6 2BZ6 2BZ6 2BZ6 Groebke et al., 2006
complex with PD0297121 1.72 Å 2C4F 2C4F 2C4F 2C4F 2C4F 2C4F Kohrt et al., 2006
complex with BCX-3607 2.00 Å 2EC9 2EC9 2EC9 2EC9 2EC9 2EC9 Krishnan et al., 2007
discovery of novel heterocyclic factor viia inhibitors 2.54 Å 2F9B 2F9B 2F9B 2F9B 2F9B 2F9B Rai et al., 2006
complex with soluble tissue factor 2.00 Å 2FIR 2FIR 2FIR 2FIR 2FIR 2FIR Bajaj et al., 2006
discovery of a novel hydroxy pyrazole based factor ixa inhibitor 1.95 Å 2FLB 2FLB 2FLB 2FLB 2FLB 2FLB Vijaykumar et al., 2006
novel 5-azaindole factor viia inhibitors 2.35 Å 2FLR 2FLR 2FLR 2FLR 2FLR 2FLR Riggs et al., 2006
active site inhibited form; complex with soluble tissue factor 2.05 Å 2PUQ 2PUQ 2PUQ 2PUQ 2PUQ 2PUQ Larsen et al., 2007
complex with tissue factor and benzylsulfonamide-D-Ile-Gln-p-aminobenzamidine 2.70 Å 2ZP0 2ZP0 2ZP0 2ZP0 2ZP0 2ZP0
complex with tissue factor and highly selective peptide inhibitor 2.20 Å 2ZWL 2ZWL 2ZWL 2ZWL 2ZWL 2ZWL
complex with tissue factor and ethylsulfonamide-D-5-(3-carboxybenzyloxy)-trp-gln-p- aminobenzamidine 2.50 Å 2ZZU 2ZZU 2ZZU 2ZZU 2ZZU 2ZZU Shiraishi et al., 2010
active site inhibited mutant; complex with soluble tissue factor 2.20 Å 3ELA 3ELA 3ELA 3ELA 3ELA 3ELA Bjelke et al., 2008
mature  peptidase 1.72 Å 3TH2 3TH2 3TH2 3TH2 3TH2 3TH2
mature  peptidase 2.70 Å 3TH3 3TH3 3TH3 3TH3 3TH3 3TH3
mature  peptidase 1.80 Å 3TH4 3TH4 3TH4 3TH4 3TH4 3TH4
mature  peptidase 1.80 Å 4IBL 4IBL 4IBL 4IBL 4IBL 4IBL
mature  peptidase 1.82 Å 4ISH 4ISH 4ISH 4ISH 4ISH 4ISH Priestley et al., 2013
mature  peptidase 1.94 Å 4ISI 4ISI 4ISI 4ISI 4ISI 4ISI Zhang et al., 2013
mature  peptidase 1.80 Å 4JYU 4JYU 4JYU 4JYU 4JYU 4JYU Glunz et al., 2013
mature  peptidase 2.19 Å 4JYV 4JYV 4JYV 4JYV 4JYV 4JYV Glunz et al., 2013
mature  peptidase 2.20 Å 4JZD 4JZD 4JZD 4JZD 4JZD 4JZD Bolton et al., 2013
mature  peptidase 1.52 Å 4JZE 4JZE 4JZE 4JZE 4JZE 4JZE Bolton et al., 2013
mature  peptidase 1.84 Å 4JZF 4JZF 4JZF 4JZF 4JZF 4JZF Bolton et al., 2013
mature  peptidase 2.24 Å 4NA9 4NA9 4NA9 4NA9 4NA9 4NA9 Quan et al., 2014
mature  peptidase 2.20 Å 4NG9 4NG9 4NG9 4NG9 4NG9 4NG9
mature  peptidase 2.15 Å 4NGA 4NGA 4NGA 4NGA 4NGA 4NGA
mature  peptidase 2.10 Å 4X8S 4X8S 4X8S 4X8S 4X8S 4X8S Cheney et al., 2015
mature  peptidase 2.20 Å 4X8T 4X8T 4X8T 4X8T 4X8T 4X8T Cheney et al., 2015
mature  peptidase 2.10 Å 4X8U 4X8U 4X8U 4X8U 4X8U 4X8U Cheney et al., 2015
mature  peptidase 2.50 Å 4X8V 4X8V 4X8V 4X8V 4X8V 4X8V Cheney et al., 2015
mature  peptidase 1.40 Å 4YLQ 4YLQ 4YLQ 4YLQ 4YLQ 4YLQ Sorensen et al., 2016
mature  peptidase 2.07 Å 4YT6 4YT6 4YT6 4YT6 4YT6 4YT6 Glunz et al., 2015
mature  peptidase 2.30 Å 4YT7 4YT7 4YT7 4YT7 4YT7 4YT7 Glunz et al., 2015
mature  peptidase 2.25 Å 4Z6A 4Z6A 4Z6A 4Z6A 4Z6A 4Z6A Sorensen et al., 2016
mature  peptidase 2.30 Å 4ZMA 4ZMA 4ZMA 4ZMA 4ZMA 4ZMA Sorensen et al., 2016
mature  peptidase 2.60 Å 4ZXX 4ZXX 4ZXX 4ZXX 4ZXX 4ZXX Priestley et al., 2015
mature  peptidase 2.06 Å 4ZXY 4ZXY 4ZXY 4ZXY 4ZXY 4ZXY Priestley et al., 2015
factor viia in complex with the inhibitor (2r,15r)-2-[(1- aminoisoquinolin-6-yl)amino]-8-fluoro-7-hydroxy-4,15,17-trimethyl-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione 2.06 Å 5I46 5I46 5I46 5I46 5I46 5I46
factor viia in complex with the inhibitor 1-[(2r,15r)-2-[(1-amino-4- fluoroisoquinolin-6-yl)amino]-4,15,20-trimethyl-3,12-dioxo-13-oxa-4, 11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6,8,10(21),16,19- hexaen-7-yl] cyclobutane-1-carboxylic acid 1.82 Å 5L2Y 5L2Y 5L2Y 5L2Y 5L2Y 5L2Y
factor viia in complex with the inhibitor 1-[(2r,15r)-2-[(1-amino-4- fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4, 11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19- hexaen-7-yl]cyclohexane-1-carboxylic acid 1.79 Å 5L2Z 5L2Z 5L2Z 5L2Z 5L2Z 5L2Z
factor viia in complex with the inhibitor (2r,15r)-2-[(1- aminoisoquinolin-6-yl)amino]-4,15,17-trimethyl-7-[1-(1h-tetrazol-5- yl)cyclopropyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa- 1(18),6(21),7,9,16,19-hexaene-3,12-dione 1.73 Å 5L30 5L30 5L30 5L30 5L30 5L30
complex with cyclohexanamine 1.98 Å 5PA8 5PA8 5PA8 5PA8 5PA8 5PA8
complex with phenylmethanamine;hydrochloride 1.55 Å 5PA9 5PA9 5PA9 5PA9 5PA9 5PA9
complex with cyclohexylmethanamine 1.98 Å 5PAA 5PAA 5PAA 5PAA 5PAA 5PAA
complex with 1-[[3-[2-hydroxy-3- (1h-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-phenylurea 1.99 Å 5PAB 5PAB 5PAB 5PAB 5PAB 5PAB
human factor viia in complex with 5-hydroxy-n-(4-oxo-3h-quinazolin-6- yl)-1-[3-[(phenylcarbamoylamino)methyl]phenyl]pyrazole-4-carboxamide at 1.50a 1.50 Å 5PAC 5PAC 5PAC 5PAC 5PAC 5PAC
complex with (2s)-2-hydroxy-n-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1- yl]phenyl]methyl]propanamide 1.45 Å 5PAE 5PAE 5PAE 5PAE 5PAE 5PAE
complex with n-(2-amino-1h- benzimidazol-5-yl)-2-[3-[(2-amino-2-oxoethyl)-methylsulfonylamino]-5-chlorophenyl]acetamide;2,2,2-trifluoroacetic acid 1.50 Å 5PAF 5PAF 5PAF 5PAF 5PAF 5PAF
complex with (2r)-2-hydroxy-n-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1- yl]phenyl]methyl]-3-methylbutanamide;hydrobromide 1.36 Å 5PAG 5PAG 5PAG 5PAG 5PAG 5PAG
human factor viia in complex with n-(2-amino-1h-benzimidazol-5-yl)-1- [3-[[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]methyl]phenyl]-5- hydroxypyrazole-4-carboxamide at 1.73a 1.73 Å 5PAI 5PAI 5PAI 5PAI 5PAI 5PAI
complex with 1-(1- aminoisoquinolin-6-yl)-3-benzylurea 1.70 Å 5PAJ 5PAJ 5PAJ 5PAJ 5PAJ 5PAJ
complex with n-[[4-(aminomethyl)- 2-(2-amino-2-oxoethoxy)phenyl]methyl]-2-(4-hydroxyphenyl)-2- methoxyacetamide;hydrochloride 1.56 Å 5PAK 5PAK 5PAK 5PAK 5PAK 5PAK
complex with 2-[(1- aminoisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluorophenyl)-1-(2- phenylpyrrolidin-1-yl)ethanone 1.60 Å 5PAM 5PAM 5PAM 5PAM 5PAM 5PAM
complex with 5-hydroxy-n-(3-oxo-1,2-dihydroisoindol-5-yl)-1-[3-[(phenylcarbamoylamino) methyl]phenyl]pyrazole-4-carboxamide 1.62 Å 5PAN 5PAN 5PAN 5PAN 5PAN 5PAN
complex with (2s)-2,3-dihydroxy-n-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1- yl]phenyl]methyl]propanamide;hydrobromide 1.40 Å 5PAO 5PAO 5PAO 5PAO 5PAO 5PAO
complex with 2-[(1- aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-1- (2-phenylpyrrolidin-1-yl)ethanone 1.59 Å 5PAQ 5PAQ 5PAQ 5PAQ 5PAQ 5PAQ
complex with 1h-benzimidazol-2- amine 2.10 Å 5PAR 5PAR 5PAR 5PAR 5PAR 5PAR
complex with (2s)-2-hydroxy-n-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1- yl]phenyl]methyl]-3-phenylpropanamide 1.48 Å 5PAS 5PAS 5PAS 5PAS 5PAS 5PAS
complex with n-(2-amino-1h- benzimidazol-5-yl)-2-(3-chlorophenyl)acetamide 1.60 Å 5PAT 5PAT 5PAT 5PAT 5PAT 5PAT
complex with n-(2-amino-1h- benzimidazol-5-yl)-2-[3-[(2-amino-2-oxoethyl)- methylsulfonylamino]phenyl]acetamide;2,2,2-trifluoroacetic acid 1.55 Å 5PAU 5PAU 5PAU 5PAU 5PAU 5PAU
complex with n-(6-aminopyridin-3- yl)-5-hydroxy-1-phenylpyrazole-4-carboxamide 1.40 Å 5PAV 5PAV 5PAV 5PAV 5PAV 5PAV
complex with isoquinoline-1,6- diamine 2.20 Å 5PAW 5PAW 5PAW 5PAW 5PAW 5PAW
complex with 1-(2,6- difluorophenyl)-3-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl) pyrazol-1-yl]phenyl]methyl]urea 1.36 Å 5PAX 5PAX 5PAX 5PAX 5PAX 5PAX
complex with 1-[[3-[5-hydroxy-4- (1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3- phenylurea 1.66 Å 5PAY 5PAY 5PAY 5PAY 5PAY 5PAY
complex with 2-(4-ethoxy-3- methoxyphenyl)-2-(isoquinolin-6-ylamino)acetic acid 1.98 Å 5PB0 5PB0 5PB0 5PB0 5PB0 5PB0
complex with benzenecarboximidamide 1.90 Å 5PB1 5PB1 5PB1 5PB1 5PB1 5PB1
complex with 2-phenyl-4-(1h- pyrrolo[3,2-c]pyridin-2-yl)pyrazol-3-ol 1.45 Å 5PB2 5PB2 5PB2 5PB2 5PB2 5PB2
complex with 1-[[3-[4-(5-amino-1h-pyrrolo[3,2-b]pyridin-2-yl)-5-hydroxypyrazol-1-yl]phenyl]methyl]-3- phenylurea 1.90 Å 5PB3 5PB3 5PB3 5PB3 5PB3 5PB3
human factor viia in complex with 1-[[3-[5-hydroxy-3-methyl-4-(1h- pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylurea at 2.43a 2.43 Å 5PB4 5PB4 5PB4 5PB4 5PB4 5PB4
human factor viia in complex with 1-[[3-[5-hydroxy-4-(7h-pyrrolo[2,3- d]pyrimidin-6-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylurea at 1.84a 1.84 Å 5PB5 5PB5 5PB5 5PB5 5PB5 5PB5
complex with n-[[3-[5-hydroxy-4- (1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]pentanamide 1.90 Å 5PB6 5PB6 5PB6 5PB6 5PB6 5PB6
factor viia in complex with the inhibitor (5r)-5-[(1-aminoisoquinolin-6-yl)amino]-19-(cyclopropylsulfonyl)-3-methyl-13-oxa-3,15- diazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaene- 4,14-dione 1.90 Å 5TQE 5TQE 5TQE 5TQE 5TQE 5TQE
factor viia in complex with the inhibitor (11r)-11-[(1- aminoisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-13-methyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3, 12-dione 1.85 Å 5TQF 5TQF 5TQF 5TQF 5TQF 5TQF
factor viia in complex with the inhibitor (5r,11r)-11-[(1-amino-4- fluoroisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-7-(2,2- difluoroethoxy)-5,13-dimethyl-2,13-diazatricyclo[13.3.1.1~6, 10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione 1.90 Å 5TQG 5TQG 5TQG 5TQG 5TQG 5TQG
factor viia in complex with the inhibitor 3-[(2r)-17-ethyl-4-methyl- 3,12-dioxo-7-[(propan-2-yl)sulfonyl]-13-oxa-4,11- diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-2-yl]aminobenzamide 2.30 Å 5U6J 5U6J 5U6J 5U6J 5U6J 5U6J

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