eF-site ID 3ffz-B
PDB Code 3ffz
Chain B

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Title Domain organization in Clostridium butulinum neurotoxin type E is unique: Its implication in faster translocation
Classification HYDROLASE
Compound Botulinum neurotoxin type E
Source ORGANISM_SCIENTIFIC: Clostridium botulinum;
Sequence B:  PKINSFNYNDPVNDRTILYIKPGGCQEFYKSFNIMKNIWI
IPERNVIGTTPQDFHPPTSLKNGDSSYYDPNYLQSDEEKD
RFLKIVTKIFNRINNNLSGGILLEELSKANPYLGNDNTPD
NQFHIGDASAVEIKFSNGSQDILLPNVIIMGAEPDLFETN
SSNISLRNNYMPSNHGFGSIAIVTFSPEYSFRFNDNCMNE
FIQDPALTLMHELIHSLHGLYGAKGITTKYTITQKQNPLI
TNIRGTNIEEFLTFGGTDLNIITSAQSNDIYTNLLADYKK
IASKLSKVQVSNPLLNPYKDVFEAKYGLDKDASGIYSVNI
NKFNDIFKKLYSFTEFDLATKFQVKCRQTYIGQYKYFKLS
NLLNDSIYNISEGYNINNLKVNFRGQNANLNPRIITPITG
RGLVKKIIRFCKNKSICIEINNGELFFVASENSYNDDNIN
TPKEIDDTVTSNDLDQVILNFNSESAPGLSDEKLNLTIQN
DAYIPKYDSNGTSDIEQHDVNELNVFFYLDAQKVPEGENN
VNLTSSIDTALLEQPKIYTFFSSEFINNVNKPVQAALFVS
WIQQVLVDFTTEANQKSTVDKIADISIVVPYIGLALNIGN
EAQKGNFKDALELLGAGILLEFEPELLIPTILVFTIKSFL
GSSDNKNKVIKAINNALKERDEKWKEVYSFIVSNWMTKIN
TQFNKRKEQMYQALQNQVNAIKTIIESKYNSYTLEEKNEL
TNKYDIKQIENELNQKVSIAMNNIDRFLTESSISYLMKII
NEVKINKLREYDENVKTYLLNYIIQHGSILGESQQELNSM
VTDTLNNSIPFKLSSYTDDKILISYFNKFFKRIKSSSVLN
MRYKNDKYVDTSGYDSNININGDVYKYPTNKNQFGIYNDK
LSEVNISQNDYIIYDNKYKNFSISFWVRIPNYDNKIVNVN
NEYTIINCMRDNNSGWKVSLNHNEIIWTLQDNAGINQKLA
FNYGNANGISDYINKWIFVTITNDRLGDSKLYINGNLIDQ
KSILNLGNIHVSDNILFKIVNCSYTRYIGIRYFNIFDKEL
DETEIQTLYSNEPNTNILKDFWGNYLLYDKEYYLLNVLKP
NNFIDRRKDSTLSINNIRSTILLANRLYSGIKVKIQRVNN
SSTNDNLVRKNDQVYINFVASKTHLFPLYADTATTNKEKT
IKISSSGNRFNQVVVMNSVGNNCTMNFKNNNGNNIGLLGF
KADTVVASTWYYTHMRDHTNSNGCFWNFISEEHGWQEK
Description (1)  Botulinum neurotoxin type E (E.C.3.4.24.69)


Functional site

1) chain B
residue 212
type
ligand
sequence H
description BINDING SITE FOR RESIDUE ZN B1300
source : AC5

2) chain B
residue 216
type
ligand
sequence H
description BINDING SITE FOR RESIDUE ZN B1300
source : AC5

3) chain B
residue 251
type
ligand
sequence E
description BINDING SITE FOR RESIDUE ZN B1300
source : AC5

4) chain B
residue 593
type
ligand
sequence V
description BINDING SITE FOR RESIDUE NA B1302
source : AC6

5) chain B
residue 596
type
ligand
sequence I
description BINDING SITE FOR RESIDUE NA B1302
source : AC6

6) chain B
residue 599
type
ligand
sequence I
description BINDING SITE FOR RESIDUE NA B1302
source : AC6

7) chain B
residue 600
type
ligand
sequence S
description BINDING SITE FOR RESIDUE NA B1302
source : AC6

8) chain B
residue 879
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE ACT B1303
source : AC7

9) chain B
residue 881
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE ACT B1303
source : AC7

10) chain B
residue 213
type ACT_SITE
ligand
sequence E
description By similarity.
source Swiss-Prot : SWS_FT_FI3

11) chain B
residue 212
type METAL
ligand
sequence H
description Zinc; catalytic (By similarity)
source Swiss-Prot : SWS_FT_FI4

12) chain B
residue 216
type METAL
ligand
sequence H
description Zinc; catalytic (By similarity)
source Swiss-Prot : SWS_FT_FI4

13) chain B
residue 209-218
type prosite
ligand
sequence TLMHELIHSL
description Neutral zinc metallopeptidases, zinc-binding region signature. [GSTALIVN]-{PCHR}-{KND}-H-E-[LIVMFYW]-{DEHRKP}-H-{EKPC}-[LIVMFYWGSPQ]
source prosite : PS00142

14) chain B
residue 879
type binding
ligand ACT: ACETATE ION
sequence Y
description ACETATE ION binding site
source pdb_hetatom : ACT_3ffz_B_1303

15) chain B
residue 881
type binding
ligand ACT: ACETATE ION
sequence Y
description ACETATE ION binding site
source pdb_hetatom : ACT_3ffz_B_1303

16) chain B
residue 891
type binding
ligand ACT: ACETATE ION
sequence Y
description ACETATE ION binding site
source pdb_hetatom : ACT_3ffz_B_1303

17) chain B
residue 922
type binding
ligand ACT: ACETATE ION
sequence R
description ACETATE ION binding site
source pdb_hetatom : ACT_3ffz_B_1303

18) chain B
residue 1041
type binding
ligand ACT: ACETATE ION
sequence Y
description ACETATE ION binding site
source pdb_hetatom : ACT_3ffz_B_1303

19) chain B
residue 348
type catalytic
ligand
sequence R
description Annotated By Reference To The Literature 1i1e
source CSA : CSA2

20) chain B
residue 251
type catalytic
ligand
sequence E
description Annotated By Reference To The Literature 1i1e
source CSA : CSA2

21) chain B
residue 351
type catalytic
ligand
sequence Y
description Annotated By Reference To The Literature 1i1e
source CSA : CSA2


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