eF-site ID 4x6i-A
PDB Code 4x6i
Chain A

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Title Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors.
Classification HYDROLASE
Compound Cathepsin K
Source Homo sapiens (Human) (CATK_HUMAN)
Sequence A:  APDSVDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKK
KTGKLLNLSPQNLVDCVSENDGCGGGYMTNAFQYVQKNRG
IDSEDAYPYVGQEESCMYNPTGKAAKCRGYREIPEGNEKA
LKRAVARVGPVSVAIDASLTSFQFYSKGVYYDESCNSDNL
NHAVLAVGYGIQKGNKHWIIKNSWGENWGNKGYILMARNK
NNACGIANLASFPKM
Description


Functional site

1) chain A
residue 25
type
sequence C
description binding site for residue 3Y1 A 301
source : AC1

2) chain A
residue 26
type
sequence W
description binding site for residue 3Y1 A 301
source : AC1

3) chain A
residue 59
type
sequence E
description binding site for residue 3Y1 A 301
source : AC1

4) chain A
residue 61
type
sequence D
description binding site for residue 3Y1 A 301
source : AC1

5) chain A
residue 64
type
sequence G
description binding site for residue 3Y1 A 301
source : AC1

6) chain A
residue 65
type
sequence G
description binding site for residue 3Y1 A 301
source : AC1

7) chain A
residue 66
type
sequence G
description binding site for residue 3Y1 A 301
source : AC1

8) chain A
residue 67
type
sequence Y
description binding site for residue 3Y1 A 301
source : AC1

9) chain A
residue 134
type
sequence A
description binding site for residue 3Y1 A 301
source : AC1

10) chain A
residue 160
type
sequence L
description binding site for residue 3Y1 A 301
source : AC1

11) chain A
residue 161
type
sequence N
description binding site for residue 3Y1 A 301
source : AC1

12) chain A
residue 59
type
sequence E
description binding site for residue SO4 A 302
source : AC2

13) chain A
residue 67
type
sequence Y
description binding site for residue SO4 A 302
source : AC2

14) chain A
residue 70
type
sequence N
description binding site for residue SO4 A 302
source : AC2

15) chain A
residue 187
type
sequence N
description binding site for residue SO4 A 302
source : AC2

16) chain A
residue 18
type
sequence N
description binding site for residue SO4 A 303
source : AC3

17) chain A
residue 77
type
sequence K
description binding site for residue SO4 A 303
source : AC3

18) chain A
residue 185
type
sequence G
description binding site for residue SO4 A 303
source : AC3

19) chain A
residue 186
type
sequence E
description binding site for residue SO4 A 303
source : AC3

20) chain A
residue 187
type
sequence N
description binding site for residue SO4 A 303
source : AC3

21) chain A
residue 122
type
sequence K
description binding site for residue SO4 A 304
source : AC4

22) chain A
residue 176
type
sequence K
description binding site for residue SO4 A 304
source : AC4

23) chain A
residue 198
type
sequence R
description binding site for residue SO4 A 304
source : AC4

24) chain A
residue 199
type
sequence N
description binding site for residue SO4 A 304
source : AC4

25) chain A
residue 1
type
sequence A
description binding site for residue SO4 A 305
source : AC5

26) chain A
residue 119
type
sequence K
description binding site for residue SO4 A 305
source : AC5

27) chain A
residue 122
type
sequence K
description binding site for residue SO4 A 305
source : AC5

28) chain A
residue 123
type
sequence R
description binding site for residue SO4 A 305
source : AC5

29) chain A
residue 110
type
sequence Y
description binding site for residue SO4 A 306
source : AC6

30) chain A
residue 111
type
sequence R
description binding site for residue SO4 A 306
source : AC6

31) chain A
residue 112
type
sequence E
description binding site for residue SO4 A 306
source : AC6

32) chain A
residue 147
type
sequence K
description binding site for residue SO4 A 306
source : AC6

33) chain A
residue 190
type
sequence N
description binding site for residue SO4 A 306
source : AC6

34) chain A
residue 191
type
sequence K
description binding site for residue SO4 A 306
source : AC6

35) chain A
residue 25
type ACT_SITE
sequence C
description ACT_SITE => ECO:0000250
source Swiss-Prot : SWS_FT_FI1

36) chain A
residue 162
type ACT_SITE
sequence H
description ACT_SITE => ECO:0000250
source Swiss-Prot : SWS_FT_FI1

37) chain A
residue 182
type ACT_SITE
sequence N
description ACT_SITE => ECO:0000250
source Swiss-Prot : SWS_FT_FI1

38) chain A
residue 19-30
type prosite
sequence QGQCGSCWAFSS
description THIOL_PROTEASE_CYS Eukaryotic thiol (cysteine) proteases cysteine active site. QGqCGSCWAfSS
source prosite : PS00139

39) chain A
residue 160-170
type prosite
sequence LNHAVLAVGYG
description THIOL_PROTEASE_HIS Eukaryotic thiol (cysteine) proteases histidine active site. LNHAVLAVGYG
source prosite : PS00639

40) chain A
residue 177-196
type prosite
sequence HWIIKNSWGENWGNKGYILM
description THIOL_PROTEASE_ASN Eukaryotic thiol (cysteine) proteases asparagine active site. HWIiKNSWgenWGnkGYIlM
source prosite : PS00640


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