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3BWK

Crystal Structure of Falcipain-3 with Its inhibitor, K11017

Functional Information from GO Data
ChainGOidnamespacecontents
A0006508biological_processproteolysis
A0008234molecular_functioncysteine-type peptidase activity
B0006508biological_processproteolysis
B0008234molecular_functioncysteine-type peptidase activity
C0006508biological_processproteolysis
C0008234molecular_functioncysteine-type peptidase activity
D0006508biological_processproteolysis
D0008234molecular_functioncysteine-type peptidase activity
Functional Information from PDB Data
site_idAC1
Number of Residues14
DetailsBINDING SITE FOR RESIDUE C1P A 300
ChainResidue
AGLN45
ATYR93
AASN182
AHIS183
ATRP215
AHOH422
AGLY49
ACYS51
ATRP52
AASN87
ACYS89
ATYR90
AGLY91
AGLY92

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 301
ChainResidue
ALYS20
ALYS25
ALEU26
AARG28

site_idAC3
Number of Residues13
DetailsBINDING SITE FOR RESIDUE C1P B 300
ChainResidue
BGLN45
BGLY49
BCYS51
BTRP52
BASN87
BCYS89
BTYR90
BGLY91
BGLY92
BTYR93
BASN182
BHIS183
BTRP215

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 301
ChainResidue
BLYS20
BALA24
BLEU26
BARG28

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 B 302
ChainResidue
AARG127
AHOH454
BARG127

site_idAC6
Number of Residues14
DetailsBINDING SITE FOR RESIDUE C1P C 300
ChainResidue
CGLN45
CGLY49
CCYS51
CTRP52
CASN87
CCYS89
CTYR90
CGLY91
CGLY92
CTYR93
CPRO181
CASN182
CHIS183
CTRP215

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 C 301
ChainResidue
CLYS20
CLYS25
CLEU26
CARG28
CHOH318

site_idAC8
Number of Residues15
DetailsBINDING SITE FOR RESIDUE C1P D 300
ChainResidue
BASP163
DGLN45
DGLY49
DCYS51
DTRP52
DASN87
DCYS89
DTYR90
DGLY91
DGLY92
DTYR93
DPRO181
DASN182
DHIS183
DTRP215

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 D 301
ChainResidue
DLYS20
DALA24
DLEU26
DARG28

Functional Information from PROSITE/UniProt
site_idPS00139
Number of Residues12
DetailsTHIOL_PROTEASE_CYS Eukaryotic thiol (cysteine) proteases cysteine active site. QAlCGSCWAfSS
ChainResidueDetails
AGLN45-SER56

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10088
ChainResidueDetails
ACYS51
BCYS51
CCYS51
DCYS51

site_idSWS_FT_FI2
Number of Residues4
DetailsACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10089
ChainResidueDetails
AHIS183
BHIS183
CHIS183
DHIS183

site_idSWS_FT_FI3
Number of Residues4
DetailsACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10090
ChainResidueDetails
AASN213
BASN213
CASN213
DASN213

Catalytic Information from CSA
site_idCSA1
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
ACYS51
AHIS183
AASN213

site_idCSA10
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
BCYS51
BHIS183
BGLN45

site_idCSA11
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
CCYS51
CHIS183
CGLN45

site_idCSA12
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
DCYS51
DHIS183
DGLN45

site_idCSA2
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
BCYS51
BHIS183
BASN213

site_idCSA3
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
CCYS51
CHIS183
CASN213

site_idCSA4
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
DCYS51
DHIS183
DASN213

site_idCSA5
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
AHIS183
AGLN45
AASN213

site_idCSA6
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
BHIS183
BGLN45
BASN213

site_idCSA7
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
CHIS183
CGLN45
CASN213

site_idCSA8
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
DHIS183
DGLN45
DASN213

site_idCSA9
Number of Residues3
DetailsAnnotated By Reference To The Literature 1pad
ChainResidueDetails
ACYS51
AHIS183
AGLN45

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PDB entries from 2024-07-31

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