eF-site ID 6qbs-AB PDB Code 6qbs Chain A, B click to enlarge Title The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K Classification HYDROLASE Compound Cathepsin K Source (CATK_HUMAN) Sequence A:  APDSVDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKK KTGKLLNLSPQNLVDCVSENDGCGGGYMTNAFQYVQKNRG IDSEDAYPYVGQEESCMYNPTGKAAKCRGYREIPEGNEKA LKRAVARVGPVSVAIDASLTSFQFYSKGVYYDESCNSDNL NHAVLAVGYGIQKGNKHWIIKNSWGENWGNKGYILMARNK NNACGIANLASFPKM B:  APDSVDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKK KTGKLLNLSPQNLVDCVSENDGCGGGYMTNAFQYVQKNRG IDSEDAYPYVGQEESCMYNPTGKAAKCRGYREIPEGNEKA LKRAVARVGPVSVAIDASLTSFQFYSKGVYYDESCNSDNL NHAVLAVGYGIQKGNKHWIIKNSWGENWGNKGYILMARNK NNACGIANLASFPKM Description Functional site 1) chain A residue 19 type sequence Q description binding site for residue HVW A 301 source : AC1 2) chain A residue 25 type sequence C description binding site for residue HVW A 301 source : AC1 3) chain A residue 26 type sequence W description binding site for residue HVW A 301 source : AC1 4) chain A residue 59 type sequence E description binding site for residue HVW A 301 source : AC1 5) chain A residue 60 type sequence N description binding site for residue HVW A 301 source : AC1 6) chain A residue 61 type sequence D description binding site for residue HVW A 301 source : AC1 7) chain A residue 64 type sequence G description binding site for residue HVW A 301 source : AC1 8) chain A residue 65 type sequence G description binding site for residue HVW A 301 source : AC1 9) chain A residue 66 type sequence G description binding site for residue HVW A 301 source : AC1 10) chain A residue 67 type sequence Y description binding site for residue HVW A 301 source : AC1 11) chain A residue 68 type sequence M description binding site for residue HVW A 301 source : AC1 12) chain A residue 134 type sequence A description binding site for residue HVW A 301 source : AC1 13) chain A residue 160 type sequence L description binding site for residue HVW A 301 source : AC1 14) chain A residue 161 type sequence N description binding site for residue HVW A 301 source : AC1 15) chain A residue 162 type sequence H description binding site for residue HVW A 301 source : AC1 16) chain B residue 282 type sequence Y description binding site for residue HVW A 301 source : AC1 17) chain B residue 424 type sequence L description binding site for residue HVW A 301 source : AC1 18) chain A residue 59 type sequence E description binding site for residue CA A 302 source : AC2 19) chain A residue 70 type sequence N description binding site for residue CA A 302 source : AC2 20) chain A residue 73 type sequence Q description binding site for residue CA A 302 source : AC2 21) chain B residue 274 type sequence E description binding site for residue CA A 302 source : AC2 22) chain B residue 285 type sequence N description binding site for residue CA A 302 source : AC2 23) chain B residue 288 type sequence Q description binding site for residue CA A 302 source : AC2 24) chain A residue 122 type sequence K description binding site for residue CL A 303 source : AC3 25) chain A residue 176 type sequence K description binding site for residue CL A 303 source : AC3 26) chain A residue 198 type sequence R description binding site for residue CL A 303 source : AC3 27) chain A residue 199 type sequence N description binding site for residue CL A 303 source : AC3 28) chain B residue 337 type sequence K description binding site for residue CL B 502 source : AC4 29) chain B residue 391 type sequence K description binding site for residue CL B 502 source : AC4 30) chain B residue 413 type sequence R description binding site for residue CL B 502 source : AC4 31) chain B residue 414 type sequence N description binding site for residue CL B 502 source : AC4 32) chain B residue 234 type sequence Q description binding site for Di-peptide HVW B 501 and CYS B 240 source : AC5 33) chain B residue 238 type sequence G description binding site for Di-peptide HVW B 501 and CYS B 240 source : AC5 34) chain B residue 239 type sequence S description binding site for Di-peptide HVW B 501 and CYS B 240 source : AC5 35) chain B residue 241 type sequence W description binding site for Di-peptide HVW B 501 and CYS B 240 source : AC5 36) chain B residue 242 type sequence A description binding site for Di-peptide HVW B 501 and CYS B 240 source : AC5 37) chain B residue 243 type sequence F description binding site for Di-peptide HVW B 501 and CYS B 240 source : AC5 38) chain B residue 244 type sequence S description binding site for Di-peptide HVW B 501 and CYS B 240 source : AC5 39) chain B residue 274 type sequence E description binding site for Di-peptide HVW B 501 and CYS B 240 source : AC5 40) chain B residue 276 type sequence D description binding site for Di-peptide HVW B 501 and CYS B 240 source : AC5 41) chain B residue 279 type sequence G description binding site for Di-peptide HVW B 501 and CYS B 240 source : AC5 42) chain B residue 280 type sequence G description binding site for Di-peptide HVW B 501 and CYS B 240 source : AC5 43) chain B residue 281 type sequence G description binding site for Di-peptide HVW B 501 and CYS B 240 source : AC5 44) chain B residue 349 type sequence A description binding site for Di-peptide HVW B 501 and CYS B 240 source : AC5 45) chain B residue 355 type sequence T description binding site for Di-peptide HVW B 501 and CYS B 240 source : AC5 46) chain B residue 375 type sequence L description binding site for Di-peptide HVW B 501 and CYS B 240 source : AC5 47) chain B residue 376 type sequence N description binding site for Di-peptide HVW B 501 and CYS B 240 source : AC5 48) chain B residue 377 type sequence H description binding site for Di-peptide HVW B 501 and CYS B 240 source : AC5 49) chain B residue 378 type sequence A description binding site for Di-peptide HVW B 501 and CYS B 240 source : AC5 50) chain A residue 25 type ACT_SITE sequence C description ACT_SITE => ECO:0000250 source Swiss-Prot : SWS_FT_FI1 51) chain A residue 162 type ACT_SITE sequence H description ACT_SITE => ECO:0000250 source Swiss-Prot : SWS_FT_FI1 52) chain A residue 182 type ACT_SITE sequence N description ACT_SITE => ECO:0000250 source Swiss-Prot : SWS_FT_FI1 53) chain B residue 240 type ACT_SITE sequence C description ACT_SITE => ECO:0000250 source Swiss-Prot : SWS_FT_FI1 54) chain B residue 377 type ACT_SITE sequence H description ACT_SITE => ECO:0000250 source Swiss-Prot : SWS_FT_FI1 55) chain B residue 397 type ACT_SITE sequence N description ACT_SITE => ECO:0000250 source Swiss-Prot : SWS_FT_FI1 56) chain A residue 19-30 type prosite sequence QGQCGSCWAFSS description THIOL_PROTEASE_CYS Eukaryotic thiol (cysteine) proteases cysteine active site. QGqCGSCWAfSS source prosite : PS00139 57) chain A residue 160-170 type prosite sequence LNHAVLAVGYG description THIOL_PROTEASE_HIS Eukaryotic thiol (cysteine) proteases histidine active site. LNHAVLAVGYG source prosite : PS00639 58) chain A residue 177-196 type prosite sequence HWIIKNSWGENWGNKGYILM description THIOL_PROTEASE_ASN Eukaryotic thiol (cysteine) proteases asparagine active site. HWIiKNSWgenWGnkGYIlM source prosite : PS00640

Display surface Download Links