|
|
eF-site ID
|
3v0c-A |
|
PDB Code
|
3v0c |
|
Chain
|
A |
|
click to enlarge
|
|
|
Title
|
4.3 angstrom crystal structure of an inactive BoNT/A (E224Q/R363A/Y366F) |
|
Classification
|
TOXIN |
|
Compound
|
BoNT/A |
|
Source
|
Clostridium botulinum (Q7B8V4_CLOBO) |
|
|
Sequence
|
A: |
PFVNKQFNYKDPVNGVDIAYIKIPNAGQMQPVKAFKIHNK
IWVIPERDTFTNPEEGDLNPPPEAKQVPVSYYDSTYLSTD
NEKDNYLKGVTKLFERIYSTDLGRMLLTSIVRGIPFWGGS
TIDTELKVIDTNCINVIQPDGSYRSEELNLVIIGPSADII
QFECKSFGHEVLNLTRNGYGSTQYIRFSPDFTFGFEESLE
VDTNPLLGAGKFATDPAVTLAHQLIHAGHRLYGIAINPNR
VFKVNTNAYYEMSGLEVSFEELRTFGGHDAKFIDSLQENE
FRLYYYNKFKDIASTLNKAKSIVGTTASLQYMKNVFKEKY
LLSEDTSGKFSVDKLKFDKLYKMLTEIYTEDNFVKFFKVL
NAKTFLNFDKAVFKINIVPKVNYTIYDGFNLRNTNLAANF
NGQNTEINNMNFTKLKNFTGLFEFYKLLCVRNDLCIKVNN
WDLFFSPSEDNFTNDLNKGEEITSDTNIEAAEENISLDLI
QQYYLTFNFDNEPENISIENLSSDIIGQLELMPNIERFPN
GKKYELDKYTMFHYLRAQEFEHGKSRIALTNSVNEALLNP
SRVYTFFSSDYVKKVNKATEAAMFLGWVEQLVYDFTDETS
EVSTTDKIADITIIIPYIGPALNIGNMLYKDDFVGALIFS
GAVILLEFIPEIAIPVLGTFALVSYIANKVLTVQTIDNAL
SKRNEKWDEVYKYIVTNWLAKVNTQIDLIRKKMKEALENQ
AEATKAIINYQYNQYTEEEKNNINFNIDDLSSKLNESINK
AMININKFLNQCSVSYLMNSMIPYGVKRLEDFDASLKDAL
LKYIYDNRGTLIGQVDRLKDKVNNTLSTDIPFQLSKYVDN
QRLLSTFTEYIKNIINTSILNLRYESNHLIDLSRYASKIN
IGSKVNFDPIDKNQIQLFNLESSKIEVILKNAIVYNSMYE
NFSTSFWIRIPKYFNSISLNNEYTIINCMENNSGWKVSLN
YGEIIWTLQDTQEIKQRVVFKYSQMINISDYINRWIFVTI
TNNRLNNSKIYINGRLIDQKPISNLGNIHASNNIMFKLDG
CRDTHRYIWIKYFNLFDKELNEKEIKDLYDNQSNSGILKD
FWGDYLQYDKPYYMLNLYDPNKYVDVNNVGIRGYMYLKGP
RGSVMTTNIYLNSSLYRGAKFIIKKYASGNKDNIVRNNDR
VYINVVVKNKEYRLATNASQAGVEKILSALEIPDVGNLSQ
VVVMKSKNDQGITNKCKMNLQDNNGNDIGFIGFHQFNNIA
KLVASNWYNRQIERSSRTLGCSWEFIPVDDGWGERPL
|
|
|
Description
|
|
Functional site
|
|
|
1)
|
chain |
A |
| residue |
223 |
| type |
|
| sequence |
H
|
| description |
BINDING SITE FOR RESIDUE ZN A 1313
|
| source |
: AC1
|
|
|
2)
|
chain |
A |
| residue |
227 |
| type |
|
| sequence |
H
|
| description |
BINDING SITE FOR RESIDUE ZN A 1313
|
| source |
: AC1
|
|
|
3)
|
chain |
A |
| residue |
262 |
| type |
|
| sequence |
E
|
| description |
BINDING SITE FOR RESIDUE ZN A 1313
|
| source |
: AC1
|
|
|
4)
|
chain |
A |
| residue |
627-647 |
| type |
TRANSMEM |
| sequence |
IADITIIIPYIGPALNIGNML
|
| description |
Helical => ECO:0000255
|
| source |
Swiss-Prot : SWS_FT_FI1
|
|
|
5)
|
chain |
A |
| residue |
656-676 |
| type |
TRANSMEM |
| sequence |
LIFSGAVILLEFIPEIAIPVL
|
| description |
Helical => ECO:0000255
|
| source |
Swiss-Prot : SWS_FT_FI1
|
|
|
6)
|
chain |
A |
| residue |
224 |
| type |
ACT_SITE |
| sequence |
Q
|
| description |
ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10095
|
| source |
Swiss-Prot : SWS_FT_FI2
|
|
|
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 |
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
|
|
|
|