|
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eF-site ID
|
3v0b-A |
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PDB Code
|
3v0b |
|
Chain
|
A |
|
click to enlarge
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Title
|
3.9 angstrom crystal structure of BoNT/Ai in complex with NTNHA |
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Classification
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TOXIN |
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Compound
|
BoNT/A |
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Source
|
Clostridium botulinum (Q45914_CLOBO) |
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Sequence
|
A: |
MPFVNKQFNYKDPVNGVDIAYIKIPNAGQMQPVKAFKIHN
KIWVIPERDTFTNPEEGDLNPPPEAKQVPVSYYDSTYLST
DNEKDNYLKGVTKLFERIYSTDLGRMLLTSIVRGIPFWGG
STIDTELKVIDTNCINVIQPDGSYRSEELNLVIIGPSADI
IQFECKSFGHEVLNLTRNGYGSTQYIRFSPDFTFGFEESL
EVDTNPLLGAGKFATDPAVTLAHQLIHAGHRLYGIAINPN
RVFKVNTNAYYEMSGLEVSFEELRTFGGHDAKFIDSLQEN
EFRLYYYNKFKDIASTLNKAKSIVGTTASLQYMKNVFKEK
YLLSEDTSGKFSVDKLKFDKLYKMLTEIYTEDNFVKFFKV
LNAKTFLNFDKAVFKINIVPKVNYTIYDGFNLRNTNLAAN
FNGQNTEINNMNFTKLKNFTGLFEFYKLLCVRGILNDLCI
KVNNWDLFFSPSEDNFTNDLNKGEEITSDTNIEAAEENIS
LDLIQQYYLTFNFDNEPENISIENLSSDIIGQLELMPNIE
RFPNGKKYELDKYTMFHYLRAQEFEHGKSRIALTNSVNEA
LLNPSRVYTFFSSDYVKKVNKATEAAMFLGWVEQLVYDFT
DETSEVSTTDKIADITIIIPYIGPALNIGNMLYKDDFVGA
LIFSGAVILLEFIPEIAIPVLGTFALVSYIANKVLTVQTI
DNALSKRNEKWDEVYKYIVTNWLAKVNTQIDLIRKKMKEA
LENQAEATKAIINYQYNQYTEEEKNNINFNIDDLSSKLNE
SINKAMININKFLNQCSVSYLMNSMIPYGVKRLEDFDASL
KDALLKYIYDNRGTLIGQVDRLKDKVNNTLSTDIPFQLSK
YVDNQRLLSTFTEYIKNIINTSILNLRYESNHLIDLSRYA
SKINIGSKVNFDPIDKNQIQLFNLESSKIEVILKNAIVYN
SMYENFSTSFWIRIPKYFNSISLNNEYTIINCMENNSGWK
VSLNYGEIIWTLQDTQEIKQRVVFKYSQMINISDYINRWI
FVTITNNRLNNSKIYINGRLIDQKPISNLGNIHASNNIMF
KLDGCRDTHRYIWIKYFNLFDKELNEKEIKDLYDNQSNSG
ILKDFWGDYLQYDKPYYMLNLYDPNKYVDVNNVGIRGYMY
LKGPRGSVMTTNIYLNSSLYRGAKFIIKKYASGNKDNIVR
NNDRVYINVVVKNKEYRLATNASQAGVEKILSALEIPDVG
NLSQVVVMKSKNDQGITNKCKMNLQDNNGNDIGFIGFHQF
NNIAKLVASNWYNRQIERSSRTLGCSWEFIPVDDGWGERP
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Description
|
(1) |
BoNT/A, NTNH
|
|
Functional site
|
|
|
1)
|
chain |
A |
| residue |
223 |
| type |
|
| sequence |
H
|
| description |
BINDING SITE FOR RESIDUE ZN A 1297
|
| source |
: AC1
|
|
|
2)
|
chain |
A |
| residue |
227 |
| type |
|
| sequence |
H
|
| description |
BINDING SITE FOR RESIDUE ZN A 1297
|
| source |
: AC1
|
|
|
3)
|
chain |
A |
| residue |
262 |
| type |
|
| sequence |
E
|
| description |
BINDING SITE FOR RESIDUE ZN A 1297
|
| source |
: AC1
|
|
|
4)
|
chain |
A |
| residue |
575 |
| type |
|
| sequence |
A
|
| description |
BINDING SITE FOR RESIDUE CA A 1298
|
| source |
: AC2
|
|
|
5)
|
chain |
A |
| residue |
578 |
| type |
|
| sequence |
N
|
| description |
BINDING SITE FOR RESIDUE CA A 1298
|
| source |
: AC2
|
|
|
6)
|
chain |
A |
| residue |
581 |
| type |
|
| sequence |
R
|
| description |
BINDING SITE FOR RESIDUE CA A 1298
|
| source |
: AC2
|
|
|
7)
|
chain |
A |
| residue |
223 |
| type |
BINDING |
| sequence |
H
|
| description |
BINDING => ECO:0000255|PROSITE-ProRule:PRU10095, ECO:0000269|PubMed:17173035, ECO:0000305|PubMed:9783750, ECO:0007744|PDB:2NYY, ECO:0007744|PDB:2NZ9, ECO:0007744|PDB:3BTA, ECO:0007744|PDB:3QIX, ECO:0007744|PDB:3QIY, ECO:0007744|PDB:3QIZ, ECO:0007744|PDB:3QJ0
|
| source |
Swiss-Prot : SWS_FT_FI3
|
|
|
8)
|
chain |
A |
| residue |
227 |
| type |
BINDING |
| sequence |
H
|
| description |
BINDING => ECO:0000255|PROSITE-ProRule:PRU10095, ECO:0000269|PubMed:17173035, ECO:0000305|PubMed:9783750, ECO:0007744|PDB:2NYY, ECO:0007744|PDB:2NZ9, ECO:0007744|PDB:3BTA, ECO:0007744|PDB:3QIX, ECO:0007744|PDB:3QIY, ECO:0007744|PDB:3QIZ, ECO:0007744|PDB:3QJ0
|
| source |
Swiss-Prot : SWS_FT_FI3
|
|
|
9)
|
chain |
A |
| residue |
224 |
| type |
ACT_SITE |
| sequence |
Q
|
| description |
ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10095
|
| source |
Swiss-Prot : SWS_FT_FI2
|
|
|
10)
|
chain |
A |
| residue |
627-647 |
| type |
TRANSMEM |
| sequence |
IADITIIIPYIGPALNIGNML
|
| description |
Helical => ECO:0000255
|
| source |
Swiss-Prot : SWS_FT_FI1
|
|
|
11)
|
chain |
A |
| residue |
656-676 |
| type |
TRANSMEM |
| sequence |
LIFSGAVILLEFIPEIAIPVL
|
| description |
Helical => ECO:0000255
|
| source |
Swiss-Prot : SWS_FT_FI1
|
|
|
12)
|
chain |
A |
| residue |
262 |
| type |
BINDING |
| sequence |
E
|
| description |
BINDING => ECO:0000255|PROSITE-ProRule:PRU10095, ECO:0000269|PubMed:17173035, ECO:0007744|PDB:2NYY, ECO:0007744|PDB:2NZ9, ECO:0007744|PDB:3BTA, ECO:0007744|PDB:3QIX, ECO:0007744|PDB:3QIY, ECO:0007744|PDB:3QIZ, ECO:0007744|PDB:3QJ0
|
| source |
Swiss-Prot : SWS_FT_FI4
|
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