eF-site ID 3iej-B PDB Code 3iej Chain B click to enlarge Title Pyrazole-based Cathepsin S Inhibitors with Arylalkynes as P1 Binding Elements Classification HYDROLASE Compound Cathepsin S Source Homo sapiens (Human) (CATS_HUMAN) Sequence B:  ALPDSVDWREKGCVTEVKYQGSCGASWAFSAVGALEAQLK LKTGKLVSLSAQNLVDCSTEKYGNKGCNGGFMTTAFQYII DNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYG REDVLKEAVANKGPVSVGVDARHPSFFLYRSGVYYEPSCT QNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMA RNKGNHCGIASFPSYPEILQG Description Functional site 1) chain B residue 25 type sequence S description BINDING SITE FOR RESIDUE 599 B 221 source : AC2 2) chain B residue 67 type sequence N description BINDING SITE FOR RESIDUE 599 B 221 source : AC2 3) chain B residue 68 type sequence G description BINDING SITE FOR RESIDUE 599 B 221 source : AC2 4) chain B residue 70 type sequence F description BINDING SITE FOR RESIDUE 599 B 221 source : AC2 5) chain B residue 71 type sequence M description BINDING SITE FOR RESIDUE 599 B 221 source : AC2 6) chain B residue 118 type sequence Y description BINDING SITE FOR RESIDUE 599 B 221 source : AC2 7) chain B residue 161 type sequence N description BINDING SITE FOR RESIDUE 599 B 221 source : AC2 8) chain B residue 162 type sequence V description BINDING SITE FOR RESIDUE 599 B 221 source : AC2 9) chain B residue 163 type sequence N description BINDING SITE FOR RESIDUE 599 B 221 source : AC2 10) chain B residue 164 type sequence H description BINDING SITE FOR RESIDUE 599 B 221 source : AC2 11) chain B residue 165 type sequence G description BINDING SITE FOR RESIDUE 599 B 221 source : AC2 12) chain B residue 211 type sequence F description BINDING SITE FOR RESIDUE 599 B 221 source : AC2 13) chain B residue 219 type sequence Q description BINDING SITE FOR RESIDUE 599 B 221 source : AC2 14) chain B residue 220 type sequence G description BINDING SITE FOR RESIDUE 599 B 221 source : AC2 15) chain B residue 19 type catalytic sequence Q description 814 source MCSA : MCSA2 16) chain B residue 25 type catalytic sequence S description 814 source MCSA : MCSA2 17) chain B residue 164 type catalytic sequence H description 814 source MCSA : MCSA2 18) chain B residue 184 type catalytic sequence N description 814 source MCSA : MCSA2 19) chain B residue 25 type ACT_SITE sequence S description ACT_SITE => ECO:0000250 source Swiss-Prot : SWS_FT_FI1 20) chain B residue 164 type ACT_SITE sequence H description ACT_SITE => ECO:0000250 source Swiss-Prot : SWS_FT_FI1 21) chain B residue 184 type ACT_SITE sequence N description ACT_SITE => ECO:0000250 source Swiss-Prot : SWS_FT_FI1

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