eF-site ID 3v0a-B
PDB Code 3v0a
Chain B

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Title 2.7 angstrom crystal structure of BoNT/Ai in complex with NTNHA
Classification TOXIN
Compound BoNT/A
Source Clostridium botulinum (3V0A)
Sequence B:  MNINDNLSINSPVDNKNVVVVRARKTDTVFKAFKVAPNIW
VAPERYYGESLSIDEEYKVDGGIYDSNFLSQDSEKDKFLQ
AIITLLKRINSTNAGEKLLSLISTAIPFPYGYIGYRETNY
LSSEDNKSFYASNIVIFGPGANIVENNTVFYKKEDAENGM
GTMTEIWFQPFLTYKYDEFYIDPAIELIKCLIKSLYFLYG
IKPSDDLVIPYRLRSELENIEYSQLNIVDLLVSGGIDPKF
INTDPYWFTDNYFSNAKKVFEDHRNIYETEIEGNNAIGND
IKLRLKQKFRININDIWELNLNYFSKEFSIMMPDRFNNAL
KHFYRKQYYKIDYPENYSINGFVNGQINAQLSLSDRNQDI
INKPEEIINLLNGNNVSLMRSNIYGDGLKSTVDDFYSNYK
IPYNRADSSLDNVNIGVIDNIPEIIDVNPYKENCDKFSPV
QKITSTREINTNIPWPINYLQAQNTNNEKFSLSSDFVEVV
SSKDKSLVYSFLSNVMFYLDSIKDNSPIDTDKKYYLWLRE
IFRNYSFDITATQEINTNCGINKVVTWFGKALNILNTSDS
FVEEFQNLGAISLINKKENLSMPIIESYEIPNDMLGLPLN
DLNEKLFNIYSKNTAYFKKIYYNFLDQWWTQYYSQYFDLI
CMAKRSVLAQETLIKRIIQKKLSYLIGNSNISSDNLALMN
LTTTNTLRDISNESQIAMNNVDSFLNNAAICVFESNIYPK
FISFMEQCINNINIKTKEFIQKCTNINEDEKLQLINQNVF
NSLDFEFLNIQNMKSLFSSETALLIKEETWPYELVLYAFK
EPGNNVIGDASGKNTSIEYSKDIGLVYGINSDALYLNGSN
QSISFSNDFFENGLTNSFSIYFWLRNLGKDTIKSKLIGSK
EDNCGWEIYFQDTGLVFNMIDSNGNEKNIYLSDVSNNSWH
YITISVDRLKEQLLIFIDDNLVANESIKEILNIYSSNIIS
LLSENNPSYIEGLTILNKPTTSQEVLSNYFEVLNNSYIRD
SNEERLEYNKTYQLYNYVFSDKPICEVKQNNNIYLTINNT
NNLNLQASKFKLLSINPNKQYVQKLDEVIISVLDNMEKYI
DISEDNRLQLIDNKNNAKKMIISNDIFISNCLTLSYNGKY
ICLSMKDENHNWMICNNDMSKYLYLWSFKP
Description (1)  BoNT/A, NTNH, Llama antibody F12


Functional site

1) chain B
residue 577
type
sequence Q
description BINDING SITE FOR RESIDUE SO4 A 1303
source : AC7

2) chain B
residue 578
type
sequence E
description BINDING SITE FOR RESIDUE SO4 A 1303
source : AC7

3) chain B
residue 15
type
sequence N
description BINDING SITE FOR RESIDUE SO4 A 1310
source : BC5

4) chain B
residue 356
type
sequence K
description BINDING SITE FOR RESIDUE SO4 B 1195
source : BC6

5) chain B
residue 420
type
sequence G
description BINDING SITE FOR RESIDUE SO4 B 1195
source : BC6

6) chain B
residue 421
type
sequence D
description BINDING SITE FOR RESIDUE SO4 B 1195
source : BC6

7) chain B
residue 422
type
sequence G
description BINDING SITE FOR RESIDUE SO4 B 1195
source : BC6

8) chain B
residue 486
type
sequence K
description BINDING SITE FOR RESIDUE SO4 B 1195
source : BC6

9) chain B
residue 352
type
sequence N
description BINDING SITE FOR RESIDUE SO4 B 1196
source : BC7

10) chain B
residue 353
type
sequence N
description BINDING SITE FOR RESIDUE SO4 B 1196
source : BC7

11) chain B
residue 355
type
sequence L
description BINDING SITE FOR RESIDUE SO4 B 1196
source : BC7

12) chain B
residue 361
type
sequence K
description BINDING SITE FOR RESIDUE SO4 B 1196
source : BC7

13) chain B
residue 335
type
sequence N
description BINDING SITE FOR RESIDUE SO4 B 1197
source : BC8

14) chain B
residue 337
type
sequence N
description BINDING SITE FOR RESIDUE SO4 B 1197
source : BC8

15) chain B
residue 919
type
sequence K
description BINDING SITE FOR RESIDUE SO4 B 1198
source : BC9

16) chain B
residue 924
type
sequence K
description BINDING SITE FOR RESIDUE SO4 B 1198
source : BC9

17) chain B
residue 1049
type
sequence R
description BINDING SITE FOR RESIDUE SO4 B 1199
source : CC1

18) chain B
residue 50
type
sequence S
description BINDING SITE FOR RESIDUE SO4 B 1200
source : CC2

19) chain B
residue 51
type
sequence L
description BINDING SITE FOR RESIDUE SO4 B 1200
source : CC2

20) chain B
residue 52
type
sequence S
description BINDING SITE FOR RESIDUE SO4 B 1200
source : CC2

21) chain B
residue 249
type
sequence R
description BINDING SITE FOR RESIDUE SO4 B 1201
source : CC3

22) chain B
residue 425
type
sequence S
description BINDING SITE FOR RESIDUE SO4 B 1201
source : CC3

23) chain B
residue 284
type
sequence T
description BINDING SITE FOR RESIDUE MES B 1202
source : CC4

24) chain B
residue 292
type
sequence K
description BINDING SITE FOR RESIDUE MES B 1202
source : CC4

25) chain B
residue 414
type
sequence M
description BINDING SITE FOR RESIDUE MES B 1203
source : CC5

26) chain B
residue 506
type
sequence A
description BINDING SITE FOR RESIDUE MES B 1203
source : CC5

27) chain B
residue 508
type
sequence N
description BINDING SITE FOR RESIDUE MES B 1203
source : CC5

28) chain B
residue 509
type
sequence T
description BINDING SITE FOR RESIDUE MES B 1203
source : CC5

29) chain B
residue 510
type
sequence N
description BINDING SITE FOR RESIDUE MES B 1203
source : CC5

30) chain B
residue 511
type
sequence N
description BINDING SITE FOR RESIDUE MES B 1203
source : CC5

31) chain B
residue 523
type
sequence V
description BINDING SITE FOR RESIDUE MES B 1203
source : CC5

32) chain B
residue 1164
type
sequence Y
description BINDING SITE FOR RESIDUE MES B 1204
source : CC6

33) chain B
residue 1181
type
sequence N
description BINDING SITE FOR RESIDUE MES B 1204
source : CC6

34) chain B
residue 65
type
sequence D
description BINDING SITE FOR RESIDUE MES B 1205
source : CC7

35) chain B
residue 66
type
sequence S
description BINDING SITE FOR RESIDUE MES B 1205
source : CC7

36) chain B
residue 394
type
sequence D
description BINDING SITE FOR RESIDUE MES B 1205
source : CC7


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