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eF-site ID
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2nyy-A |
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PDB Code
|
2nyy |
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Chain
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A |
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click to enlarge
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Title
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Crystal structure of botulinum neurotoxin type A complexed with monoclonal antibody CR1 |
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Classification
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TOXIN/IMMUNE SYSTEM |
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Compound
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Botulinum neurotoxin type A |
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Source
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ORGANISM_SCIENTIFIC: Clostridium botulinum; |
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Sequence
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A: |
PFVNKQFNYKDPVNGVDIAYIKIPNVGQMQPVKAFKIHNK
IWVIPERDTFTNPEEGDLNPPPEAKQVPVSYYDSTYLSTD
NEKDNYLKGVTKLFERIYSTDLGRMLLTSIVRGIPFWGGS
TIDTELKVIDTNCINVIQPDGSYRSEELNLVIIGPSADII
QFECKSFGHEVLNLTRNGYGSTQYIRFSPDFTFGFEESLE
VDTNPLLGAGKFATDPAVTLAHELIHAGHRLYGIAINPNR
VFKVNTNAYYEMSGLEVSFEELRTFGGHDAKFIDSLQENE
FRLYYYNKFKDIASTLNKAKSIVGTTASLQYMKNVFKEKY
LLSEDTSGKFSVDKLKFDKLYKMLTEIYTEDNFVKFFKVL
NRKTYLNFDKAVFKINIVPKVNYTIYDGFNLRNTNLAANF
NGQNTEINNMNFTKLKNFTGLFEFYKLLCVRLCIKVNNWD
LFFSPSEDNFTNDLNKGEEITSDTNIEANISLDLIQQYYL
TFNFDNEPENISIENLSSDIIGQLELMPNIERFPNGKKYE
LDKYTMFHYLRAQEFEHGKSRIALTNSVNEALLNPSRVYT
FFSSDYVKKVNKATEAAMFLGWVEQLVYDFTDETSEVSIA
DITIIIPYIGPALNIGNMLYKDDFVGALIFSGAVILLEFI
PEIAIPVLGTFALVSYIANKVLTVQTIDNALSKRNEKWDE
VYKYIVTNWLAKVNTQIDLIRKKMKEALENQAEATKAIIN
YQYNQYTEEEKNNINFNIDDLSSKLNESINKAMININKFL
NQCSVSYLMNSMIPYGVKRLEDFDASLKDALLKYIYDNRG
TLIGQVDRLKDKVNNTLSTDIPFQLSKYVDNQRLLSTFTE
YIKNIINTSILNLRYESNHLIDLSRYASKINIGSKVNFDP
IDKNQIQLFNLESSKIEVILKNAIVYNSMYENFSTSFWIR
IPKYFNSISLNNEYTIINCMENNSGWKVSLNYGEIIWTLQ
DTQEIKQRVVFKYSQMINISDYINRWIFVTITNNRLNNSK
IYINGRLIDQKPISNLGNIHASNNIMFKLDGCRDTHRYIW
IKYFNLFDKELNEKEIKDLYDNQSNSGILKDFWGDYLQYD
KPYYMLNLYDPNKYVDVNNVGIRGYMYLKGPRGSVMTTNI
YLNSSLYRGTKFIIKKYASGNKDNIVRNNDRVYINVVVKN
KEYRLATNASQAGVEKILSALEIPDVGNLSQVVVMKSKND
QGITNKCKMNLQDNNGNDIGFIGFHQFNNIAKLVASNWYN
RQIERSSRTLGCSWEFIPVDDGWGERP
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Description
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Functional site
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|
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1)
|
chain |
A |
| residue |
223 |
| type |
|
| sequence |
H
|
| description |
BINDING SITE FOR RESIDUE ZN A 1
|
| source |
: AC1
|
|
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2)
|
chain |
A |
| residue |
227 |
| type |
|
| sequence |
H
|
| description |
BINDING SITE FOR RESIDUE ZN A 1
|
| source |
: AC1
|
|
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3)
|
chain |
A |
| residue |
262 |
| type |
|
| sequence |
E
|
| description |
BINDING SITE FOR RESIDUE ZN A 1
|
| source |
: AC1
|
|
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4)
|
chain |
A |
| residue |
279 |
| type |
|
| sequence |
E
|
| description |
BINDING SITE FOR RESIDUE CA A 1297
|
| source |
: AC2
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|
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5)
|
chain |
A |
| residue |
347 |
| type |
|
| sequence |
E
|
| description |
BINDING SITE FOR RESIDUE CA A 1297
|
| source |
: AC2
|
|
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6)
|
chain |
A |
| residue |
224 |
| type |
BINDING |
| sequence |
E
|
| 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
|
|
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7)
|
chain |
A |
| residue |
228 |
| type |
BINDING |
| sequence |
A
|
| 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
|
|
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8)
|
chain |
A |
| residue |
628-648 |
| type |
TRANSMEM |
| sequence |
ADITIIIPYIGPALNIGNMLY
|
| description |
Helical => ECO:0000255
|
| source |
Swiss-Prot : SWS_FT_FI1
|
|
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9)
|
chain |
A |
| residue |
657-677 |
| type |
TRANSMEM |
| sequence |
IFSGAVILLEFIPEIAIPVLG
|
| description |
Helical => ECO:0000255
|
| source |
Swiss-Prot : SWS_FT_FI1
|
|
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10)
|
chain |
A |
| residue |
225 |
| type |
ACT_SITE |
| sequence |
L
|
| description |
ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10095
|
| source |
Swiss-Prot : SWS_FT_FI2
|
|
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11)
|
chain |
A |
| residue |
220-229 |
| type |
prosite |
| sequence |
TLAHELIHAG
|
| description |
ZINC_PROTEASE Neutral zinc metallopeptidases, zinc-binding region signature. TLAHELIHAG
|
| source |
prosite : PS00142
|
|
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12)
|
chain |
A |
| residue |
1118 |
| type |
BINDING |
| sequence |
D
|
| description |
BINDING => ECO:0000269|PubMed:18704164, ECO:0000269|PubMed:27958736, ECO:0007744|PDB:2VU9, ECO:0007744|PDB:5TPB, ECO:0007744|PDB:5TPC
|
| source |
Swiss-Prot : SWS_FT_FI5
|
|
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13)
|
chain |
A |
| residue |
1204 |
| type |
BINDING |
| sequence |
K
|
| description |
BINDING => ECO:0000269|PubMed:18704164, ECO:0000269|PubMed:27958736, ECO:0000305|PubMed:14731268, ECO:0007744|PDB:2VU9, ECO:0007744|PDB:5TPB, ECO:0007744|PDB:5TPC
|
| source |
Swiss-Prot : SWS_FT_FI6
|
|
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14)
|
chain |
A |
| residue |
364 |
| type |
SITE |
| sequence |
K
|
| description |
Transition state stabilizer => ECO:0000305|PubMed:11827515
|
| source |
Swiss-Prot : SWS_FT_FI7
|
|
|
15)
|
chain |
A |
| residue |
367 |
| type |
SITE |
| sequence |
L
|
| description |
Transition state stabilizer => ECO:0000305|PubMed:11827515
|
| source |
Swiss-Prot : SWS_FT_FI7
|
|
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16)
|
chain |
A |
| residue |
263 |
| type |
BINDING |
| sequence |
L
|
| 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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