eF-site ID 6qbs-B
PDB Code 6qbs
Chain B

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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 B:  APDSVDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKK
KTGKLLNLSPQNLVDCVSENDGCGGGYMTNAFQYVQKNRG
IDSEDAYPYVGQEESCMYNPTGKAAKCRGYREIPEGNEKA
LKRAVARVGPVSVAIDASLTSFQFYSKGVYYDESCNSDNL
NHAVLAVGYGIQKGNKHWIIKNSWGENWGNKGYILMARNK
NNACGIANLASFPKM
Description


Functional site

1) chain B
residue 282
type
sequence Y
description binding site for residue HVW A 301
source : AC1

2) chain B
residue 424
type
sequence L
description binding site for residue HVW A 301
source : AC1

3) chain B
residue 274
type
sequence E
description binding site for residue CA A 302
source : AC2

4) chain B
residue 285
type
sequence N
description binding site for residue CA A 302
source : AC2

5) chain B
residue 288
type
sequence Q
description binding site for residue CA A 302
source : AC2

6) chain B
residue 337
type
sequence K
description binding site for residue CL B 502
source : AC4

7) chain B
residue 391
type
sequence K
description binding site for residue CL B 502
source : AC4

8) chain B
residue 413
type
sequence R
description binding site for residue CL B 502
source : AC4

9) chain B
residue 414
type
sequence N
description binding site for residue CL B 502
source : AC4

10) chain B
residue 234
type
sequence Q
description binding site for Di-peptide HVW B 501 and CYS B 240
source : AC5

11) chain B
residue 238
type
sequence G
description binding site for Di-peptide HVW B 501 and CYS B 240
source : AC5

12) chain B
residue 239
type
sequence S
description binding site for Di-peptide HVW B 501 and CYS B 240
source : AC5

13) chain B
residue 241
type
sequence W
description binding site for Di-peptide HVW B 501 and CYS B 240
source : AC5

14) chain B
residue 242
type
sequence A
description binding site for Di-peptide HVW B 501 and CYS B 240
source : AC5

15) chain B
residue 243
type
sequence F
description binding site for Di-peptide HVW B 501 and CYS B 240
source : AC5

16) chain B
residue 244
type
sequence S
description binding site for Di-peptide HVW B 501 and CYS B 240
source : AC5

17) chain B
residue 274
type
sequence E
description binding site for Di-peptide HVW B 501 and CYS B 240
source : AC5

18) chain B
residue 276
type
sequence D
description binding site for Di-peptide HVW B 501 and CYS B 240
source : AC5

19) chain B
residue 279
type
sequence G
description binding site for Di-peptide HVW B 501 and CYS B 240
source : AC5

20) chain B
residue 280
type
sequence G
description binding site for Di-peptide HVW B 501 and CYS B 240
source : AC5

21) chain B
residue 281
type
sequence G
description binding site for Di-peptide HVW B 501 and CYS B 240
source : AC5

22) chain B
residue 349
type
sequence A
description binding site for Di-peptide HVW B 501 and CYS B 240
source : AC5

23) chain B
residue 355
type
sequence T
description binding site for Di-peptide HVW B 501 and CYS B 240
source : AC5

24) chain B
residue 375
type
sequence L
description binding site for Di-peptide HVW B 501 and CYS B 240
source : AC5

25) chain B
residue 376
type
sequence N
description binding site for Di-peptide HVW B 501 and CYS B 240
source : AC5

26) chain B
residue 377
type
sequence H
description binding site for Di-peptide HVW B 501 and CYS B 240
source : AC5

27) chain B
residue 378
type
sequence A
description binding site for Di-peptide HVW B 501 and CYS B 240
source : AC5

28) chain B
residue 240
type ACT_SITE
sequence C
description ACT_SITE => ECO:0000250
source Swiss-Prot : SWS_FT_FI1

29) chain B
residue 377
type ACT_SITE
sequence H
description ACT_SITE => ECO:0000250
source Swiss-Prot : SWS_FT_FI1

30) chain B
residue 397
type ACT_SITE
sequence N
description ACT_SITE => ECO:0000250
source Swiss-Prot : SWS_FT_FI1


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