eF-site ID 6o4w-B
PDB Code 6o4w
Chain B

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Title Binary complex of native hAChE with Donepezil
Classification HYDROLASE
Compound Acetylcholinesterase
Source (ACES_HUMAN)
Sequence B:  EDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMG
PRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGT
EMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGF
YSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPG
SREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGES
AGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGE
ARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVN
HEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHG
LQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGV
RVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVG
DHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWM
GVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANF
ARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRG
LRAQACAFWNRFLPKLLSAT
Description


Functional site

1) chain B
residue 81
type
sequence E
description binding site for residue GOL B 601
source : AC6

2) chain B
residue 85
type
sequence M
description binding site for residue GOL B 601
source : AC6

3) chain B
residue 436
type
sequence T
description binding site for residue GOL B 601
source : AC6

4) chain B
residue 437
type
sequence L
description binding site for residue GOL B 601
source : AC6

5) chain B
residue 438
type
sequence S
description binding site for residue GOL B 601
source : AC6

6) chain B
residue 449
type
sequence Y
description binding site for residue GOL B 601
source : AC6

7) chain B
residue 452
type
sequence E
description binding site for residue GOL B 601
source : AC6

8) chain B
residue 76
type
sequence L
description binding site for residue GOL B 602
source : AC7

9) chain B
residue 341
type
sequence Y
description binding site for residue GOL B 602
source : AC7

10) chain B
residue 274
type
sequence R
description binding site for residue GOL B 603
source : AC8

11) chain B
residue 277
type
sequence P
description binding site for residue GOL B 603
source : AC8

12) chain B
residue 72
type
sequence Y
description binding site for residue E20 B 604
source : AC9

13) chain B
residue 86
type
sequence W
description binding site for residue E20 B 604
source : AC9

14) chain B
residue 124
type
sequence Y
description binding site for residue E20 B 604
source : AC9

15) chain B
residue 202
type
sequence E
description binding site for residue E20 B 604
source : AC9

16) chain B
residue 286
type
sequence W
description binding site for residue E20 B 604
source : AC9

17) chain B
residue 293
type
sequence S
description binding site for residue E20 B 604
source : AC9

18) chain B
residue 295
type
sequence F
description binding site for residue E20 B 604
source : AC9

19) chain B
residue 337
type
sequence Y
description binding site for residue E20 B 604
source : AC9

20) chain B
residue 338
type
sequence F
description binding site for residue E20 B 604
source : AC9

21) chain B
residue 341
type
sequence Y
description binding site for residue E20 B 604
source : AC9

22) chain B
residue 332
type
sequence K
description binding site for residue NO3 B 605
source : AD1

23) chain B
residue 333
type
sequence D
description binding site for residue NO3 B 605
source : AD1

24) chain B
residue 396
type
sequence E
description binding site for residue NO3 B 605
source : AD1

25) chain B
residue 442
type
sequence W
description binding site for residue NO3 B 605
source : AD1

26) chain B
residue 36
type
sequence P
description binding site for residue NO3 B 606
source : AD2

27) chain B
residue 98
type
sequence Y
description binding site for residue NO3 B 606
source : AD2

28) chain B
residue 88
type
sequence P
description binding site for residue NO3 B 607
source : AD3

29) chain B
residue 89
type
sequence N
description binding site for residue NO3 B 607
source : AD3

30) chain B
residue 90
type
sequence R
description binding site for residue NO3 B 607
source : AD3

31) chain B
residue 91
type
sequence E
description binding site for residue NO3 B 607
source : AD3

32) chain B
residue 86
type BINDING
sequence W
description BINDING => ECO:0007744|PDB:4EY5
source Swiss-Prot : SWS_FT_FI3

33) chain B
residue 133
type BINDING
sequence Y
description BINDING => ECO:0007744|PDB:4EY5
source Swiss-Prot : SWS_FT_FI3

34) chain B
residue 337
type BINDING
sequence Y
description BINDING => ECO:0007744|PDB:4EY5
source Swiss-Prot : SWS_FT_FI3

35) chain B
residue 122
type BINDING
sequence G
description BINDING => ECO:0007744|PDB:4BDT
source Swiss-Prot : SWS_FT_FI4

36) chain B
residue 203
type BINDING
sequence S
description BINDING => ECO:0007744|PDB:4BDT
source Swiss-Prot : SWS_FT_FI4

37) chain B
residue 439
type BINDING
sequence W
description BINDING => ECO:0007744|PDB:4BDT
source Swiss-Prot : SWS_FT_FI4

38) chain B
residue 447
type BINDING
sequence H
description BINDING => ECO:0007744|PDB:4BDT
source Swiss-Prot : SWS_FT_FI4

39) chain B
residue 203
type ACT_SITE
sequence S
description Acyl-ester intermediate
source Swiss-Prot : SWS_FT_FI1

40) chain B
residue 334
type ACT_SITE
sequence E
description Charge relay system
source Swiss-Prot : SWS_FT_FI2

41) chain B
residue 447
type ACT_SITE
sequence H
description Charge relay system
source Swiss-Prot : SWS_FT_FI2

42) chain B
residue 202
type BINDING
sequence E
description BINDING => ECO:0007744|PDB:4EY6
source Swiss-Prot : SWS_FT_FI5

43) chain B
residue 265
type CARBOHYD
sequence N
description N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:23035744, ECO:0007744|PDB:4EY4, ECO:0007744|PDB:4EY5, ECO:0007744|PDB:4EY6, ECO:0007744|PDB:4EY7
source Swiss-Prot : SWS_FT_FI6

44) chain B
residue 464
type CARBOHYD
sequence N
description N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:23035744, ECO:0007744|PDB:4EY8
source Swiss-Prot : SWS_FT_FI8

45) chain B
residue 350
type CARBOHYD
sequence N
description N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:11053835, ECO:0000269|PubMed:20408548, ECO:0000269|PubMed:23035744, ECO:0000269|PubMed:23679855, ECO:0007744|PDB:1B41, ECO:0007744|PDB:1F8U, ECO:0007744|PDB:2X8B, ECO:0007744|PDB:4BDT, ECO:0007744|PDB:4EY4, ECO:0007744|PDB:4EY5, ECO:0007744|PDB:4EY6, ECO:0007744|PDB:4EY7, ECO:0007744|PDB:4EY8
source Swiss-Prot : SWS_FT_FI7


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