eF-site ID 4qh6-ABCDE PDB Code 4qh6 Chain A, B, C, D, E click to enlarge Title Crystal structure of cruzain with nitrile inhibitor N-(2-AMINOETHYL)-NALPHA-BENZOYL-L-PHENYLALANINAMIDE Classification Hydrolase/Hydrolase inhibitor Compound Cruzipain Source Trypanosoma cruzi (CYSP_TRYCR) Sequence A:  APAAVDWRARGAVTAVKDQGQCGSCWAFSAIGNVECQWFL AGHPLTNLSEQMLVSCDKTDSGCSGGLMNNAFEWIVQENN GAVYTEDSYPYASGEGISPPCTTSGHTVGATITGHVELPQ DEAQIAAWLAVNGPVAVAVDASSWMTYTGGVMTSCVSEQL DHGVLLVGYNDSAAVPYWIIKNSWTTQWGEEGYIRIAKGS NQCLVKEEASSAVVG B:  APAAVDWRARGAVTAVKDQGQCGSCWAFSAIGNVECQWFL AGHPLTNLSEQMLVSCDKTDSGCSGGLMNNAFEWIVQENN GAVYTEDSYPYASGEGISPPCTTSGHTVGATITGHVELPQ DEAQIAAWLAVNGPVAVAVDASSWMTYTGGVMTSCVSEQL DHGVLLVGYNDSAAVPYWIIKNSWTTQWGEEGYIRIAKGS NQCLVKEEASSAVVG C:  APAAVDWRARGAVTAVKDQGQCGSCWAFSAIGNVECQWFL AGHPLTNLSEQMLVSCDKTDSGCSGGLMNNAFEWIVQENN GAVYTEDSYPYASGEGISPPCTTSGHTVGATITGHVELPQ DEAQIAAWLAVNGPVAVAVDASSWMTYTGGVMTSCVSEQL DHGVLLVGYNDSAAVPYWIIKNSWTTQWGEEGYIRIAKGS NQCLVKEEASSAVVG D:  APAAVDWRARGAVTAVKDQGQCGSCWAFSAIGNVECQWFL AGHPLTNLSEQMLVSCDKTDSGCSGGLMNNAFEWIVQENN GAVYTEDSYPYASGEGISPPCTTSGHTVGATITGHVELPQ DEAQIAAWLAVNGPVAVAVDASSWMTYTGGVMTSCVSEQL DHGVLLVGYNDSAAVPYWIIKNSWTTQWGEEGYIRIAKGS NQCLVKEEASSAVVG E:  APAAVDWRARGAVTAVKDQGQCGSCWAFSAIGNVECQWFL AGHPLTNLSEQMLVSCDKTDSGCSGGLMNNAFEWIVQENN GAVYTEDSYPYASGEGISPPCTTSGHTVGATITGHVELPQ DEAQIAAWLAVNGPVAVAVDASSWMTYTGGVMTSCVSEQL DHGVLLVGYNDSAAVPYWIIKNSWTTQWGEEGYIRIAKGS NQCLVKEEASSAVVG Description Functional site 1) chain A residue 19 type sequence Q description BINDING SITE FOR RESIDUE 33L A 301 source : AC1 2) chain A residue 23 type sequence G description BINDING SITE FOR RESIDUE 33L A 301 source : AC1 3) chain A residue 25 type sequence C description BINDING SITE FOR RESIDUE 33L A 301 source : AC1 4) chain A residue 26 type sequence W description BINDING SITE FOR RESIDUE 33L A 301 source : AC1 5) chain A residue 65 type sequence G description BINDING SITE FOR RESIDUE 33L A 301 source : AC1 6) chain A residue 66 type sequence G description BINDING SITE FOR RESIDUE 33L A 301 source : AC1 7) chain A residue 67 type sequence L description BINDING SITE FOR RESIDUE 33L A 301 source : AC1 8) chain A residue 68 type sequence M description BINDING SITE FOR RESIDUE 33L A 301 source : AC1 9) chain A residue 138 type sequence A description BINDING SITE FOR RESIDUE 33L A 301 source : AC1 10) chain A residue 161 type sequence D description BINDING SITE FOR RESIDUE 33L A 301 source : AC1 11) chain A residue 162 type sequence H description BINDING SITE FOR RESIDUE 33L A 301 source : AC1 12) chain A residue 19-30 type prosite sequence QGQCGSCWAFSA description THIOL_PROTEASE_CYS Eukaryotic thiol (cysteine) proteases cysteine active site. QGqCGSCWAfSA source prosite : PS00139 13) chain A residue 160-170 type prosite sequence LDHGVLLVGYN description THIOL_PROTEASE_HIS Eukaryotic thiol (cysteine) proteases histidine active site. LDHGVLLVGYN source prosite : PS00639 14) chain A residue 177-196 type prosite sequence YWIIKNSWTTQWGEEGYIRI description THIOL_PROTEASE_ASN Eukaryotic thiol (cysteine) proteases asparagine active site. YWIiKNSWttqWGeeGYIrI source prosite : PS00640 15) chain A residue 25 type ACT_SITE sequence C description source Swiss-Prot : SWS_FT_FI1 16) chain D residue 25 type ACT_SITE sequence C description source Swiss-Prot : SWS_FT_FI1 17) chain D residue 162 type ACT_SITE sequence H description source Swiss-Prot : SWS_FT_FI1 18) chain D residue 182 type ACT_SITE sequence N description source Swiss-Prot : SWS_FT_FI1 19) chain E residue 25 type ACT_SITE sequence C description source Swiss-Prot : SWS_FT_FI1 20) chain E residue 162 type ACT_SITE sequence H description source Swiss-Prot : SWS_FT_FI1 21) chain E residue 182 type ACT_SITE sequence N description source Swiss-Prot : SWS_FT_FI1 22) chain A residue 162 type ACT_SITE sequence H description source Swiss-Prot : SWS_FT_FI1 23) chain A residue 182 type ACT_SITE sequence N description source Swiss-Prot : SWS_FT_FI1 24) chain B residue 25 type ACT_SITE sequence C description source Swiss-Prot : SWS_FT_FI1 25) chain B residue 162 type ACT_SITE sequence H description source Swiss-Prot : SWS_FT_FI1 26) chain B residue 182 type ACT_SITE sequence N description source Swiss-Prot : SWS_FT_FI1 27) chain C residue 25 type ACT_SITE sequence C description source Swiss-Prot : SWS_FT_FI1 28) chain C residue 162 type ACT_SITE sequence H description source Swiss-Prot : SWS_FT_FI1 29) chain C residue 182 type ACT_SITE sequence N description source Swiss-Prot : SWS_FT_FI1 30) chain A residue 215 type SITE sequence G description Cleavage; by autolysis => ECO:0000269|PubMed:1559982 source Swiss-Prot : SWS_FT_FI2 31) chain B residue 215 type SITE sequence G description Cleavage; by autolysis => ECO:0000269|PubMed:1559982 source Swiss-Prot : SWS_FT_FI2 32) chain C residue 215 type SITE sequence G description Cleavage; by autolysis => ECO:0000269|PubMed:1559982 source Swiss-Prot : SWS_FT_FI2 33) chain D residue 215 type SITE sequence G description Cleavage; by autolysis => ECO:0000269|PubMed:1559982 source Swiss-Prot : SWS_FT_FI2 34) chain E residue 215 type SITE sequence G description Cleavage; by autolysis => ECO:0000269|PubMed:1559982 source Swiss-Prot : SWS_FT_FI2 35) chain A residue 47 type CARBOHYD sequence N description N-linked (GlcNAc...) asparagine => ECO:0000255 source Swiss-Prot : SWS_FT_FI3 36) chain E residue 170 type CARBOHYD sequence N description N-linked (GlcNAc...) asparagine => ECO:0000255 source Swiss-Prot : SWS_FT_FI3 37) chain A residue 170 type CARBOHYD sequence N description N-linked (GlcNAc...) asparagine => ECO:0000255 source Swiss-Prot : SWS_FT_FI3 38) chain B residue 47 type CARBOHYD sequence N description N-linked (GlcNAc...) asparagine => ECO:0000255 source Swiss-Prot : SWS_FT_FI3 39) chain B residue 170 type CARBOHYD sequence N description N-linked (GlcNAc...) asparagine => ECO:0000255 source Swiss-Prot : SWS_FT_FI3 40) chain C residue 47 type CARBOHYD sequence N description N-linked (GlcNAc...) asparagine => ECO:0000255 source Swiss-Prot : SWS_FT_FI3 41) chain C residue 170 type CARBOHYD sequence N description N-linked (GlcNAc...) asparagine => ECO:0000255 source Swiss-Prot : SWS_FT_FI3 42) chain D residue 47 type CARBOHYD sequence N description N-linked (GlcNAc...) asparagine => ECO:0000255 source Swiss-Prot : SWS_FT_FI3 43) chain D residue 170 type CARBOHYD sequence N description N-linked (GlcNAc...) asparagine => ECO:0000255 source Swiss-Prot : SWS_FT_FI3 44) chain E residue 47 type CARBOHYD sequence N description N-linked (GlcNAc...) asparagine => ECO:0000255 source Swiss-Prot : SWS_FT_FI3

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