3QW6A

Crystal structure of the protease domain of botulinum neurotoxin serotype a with a peptide inhibitor rygc
Total Genus 144
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The genus trace: a function that shows values of genus (vertical axis) for subchains spanned between the first residue, and all other residues (shown on horizontal axis). The number of the latter residue and the genus of a given subchain are shown interactively.

Total Genus
144
sequence length
422
structure length
422
Chain Sequence
PFVNKQFNYKDPVNGVDIAYIKIPNAGQMQPVKAFKIHNKIWVIPERDTFTNPEEGDLNPPPEAKQVPVSYYDSTYLSTDNEKDNYLKGVTKLFERIYSTDLGRMLLTSIVRGIPFWGGSTIDTELKVIDTNCINVIQPDGSYRSEELNLVIIGPSADIIQFECKSFGHEVLNLTRNGYGSTQYIRFSPDFTFGFEESLEVDTNPLLGAGKFATDPAVTLAHELIHAGHRLYGIAINPNRVFKVNTNAYYEMSGLEVSFEELRTFGGHDAKFIDSLQENEFRLYYYNKFKDIASTLNKAKSIVGTTASLQYMKNVFKEKYLLSEDTSGKFSVDKLKFDKLYKMLTEIYTEDNFVKFFKVLNRKTYLNFDKAVFKINIVPKVNYTIYDGFNLRNTNLAANFNGQNTEINNMNFTKLKNFTGLF
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The genus matrix. At position (x,y) a genus value for a subchain spanned between x’th and y’th residue is shown. Values of the genus are represented by color, according to the scale given on the right.

Structure visualization

After clicking on a point (x,y) in the genus matrix above, a subchain from x to y is shown in color.

publication title Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling.
pubmed doi rcsb
molecule tags Hydrolase/hydrolase inhibitor
source organism Clostridium botulinum
molecule keywords Botulinum neurotoxin type A
total genus 144
structure length 422
sequence length 422
ec nomenclature ec 3.4.24.69: Bontoxilysin.
pdb deposition date 2011-02-26
Image from the rcsb pdb (www.rcsb.org)
cath code
ClassArchitectureTopologyHomologyDomain
3.90.1240.10 Alpha Beta Alpha-Beta Complex Zincin-like Metalloproteases ("zincins"), catalytic domain like 3qw6A00
2ISEA 4HEVA 3FFZA 3FIIA 1S0DA 3C89A 1S0FA 1ZB7A 3BWIA 3DSEA 3BOKA 3QIXA 1G9CA 3QW7A 1ZL5A 3QW5A 1S0BA 3QJ0A 2G7KA 1ZL6A 3C8BA 4KTXA 3BOOA 1G9DA 2IMBA 4EJ5A 3QW8A 2QN0A 2ETFA 3QIZA 3K3QB 3VUOA 2IMCA 3V0BA 1ZN3A 1EPWA 3ZUQA 2G7PA 2G7QA 1I1EA 3DDAA 1T3AA 3FIEA 2ILPA 2A97A 1F31A 2FPQA 2NYYA 3ZUSA 1G9BA 2A8AA 4ZJXA 1ZKWA 2NP0A 2ISGA 4KUFA 3QW6A 5BQMA 2XHLA 5BQNA 4ZKTB 4KS6A 2W2DA 3C88A 3C8AA 3BONA 3V0AA 1S0CA 3ZURA 1YVGA 4EL4A 3V0BB 3DDBA 3V0AB 4J1LA 3BTAA 1S0EA 1G9AA 1F82A 1T3CA 2ISHA 1XTFA 1S0GA 1Z7HA 1E1HA 3QIYA 1XTGA 3D3XA 4ELCA 1ZKXA 2IMAA 3NF3A 2NZ9A 3DEBA 2G7NA 3DS9A
chains in the Genus database with same CATH superfamily
2ISEA 4HEVA 3FFZA 2YPTA 3FIIA 1S0DA 3C89A 1S0FA 1ZB7A 3BWIA 3DSEA 3BOKA 3QIXA 1G9CA 3QW7A 1ZL5A 3QW5A 1S0BA 3QJ0A 4AW6A 2G7KA 1ZL6A 3C8BA 4KTXA 3BOOA 1G9DA 2IMBA 4EJ5A 3QW8A 2QN0A 2EJQA 4QHFA 2ETFA 3QIZA 3CQBA 3K3QB 3VUOA 2IMCA 3V0BA 1ZN3A 1EPWA 3ZUQA 2G7PA 2G7QA 1I1EA 3DDAA 1T3AA 3FIEA 2ILPA 2A97A 1F31A 2FPQA 2NYYA 3ZUSA 1G9BA 2A8AA 4ZJXA 1ZKWA 2NP0A 2ISGA 4KUFA 3QW6A 5BQMA 2XHLA 5BQNA 4JIXA 4ZKTB 4KS6A 2W2DA 3E11A 3C88A 3C8AA 3BONA 3V0AA 1S0CA 3ZURA 1YVGA 4EL4A 4JIUA 3V0BB 3DDBA 3V0AB 4J1LA 3BTAA 1S0EA 1G9AA 1F82A 1T3CA 2ISHA 1XTFA 1S0GA 1Z7HA 3QIYA 1E1HA 1XTGA 3D3XA 4ELCA 1ZKXA 2IMAA 3NF3A 2NZ9A 3DEBA 2G7NA 3DS9A 4IL3A
chains in the Genus database with same CATH topology
2ISEA 4HEVA 3FFZA 3FIIA 1S0DA 3C89A 1S0FA 1ZB7A 3BWIA 3DSEA 3BOKA 3QIXA 1G9CA 3QW7A 1ZL5A 3QW5A 1S0BA 3QJ0A 2G7KA 1ZL6A 3C8BA 4KTXA 3BOOA 1G9DA 2IMBA 4EJ5A 3QW8A 2QN0A 2ETFA 3QIZA 3K3QB 3VUOA 2IMCA 3V0BA 1ZN3A 1EPWA 3ZUQA 2G7PA 2G7QA 1I1EA 3DDAA 1T3AA 3FIEA 2ILPA 2A97A 1F31A 2FPQA 2NYYA 3ZUSA 1G9BA 2A8AA 4ZJXA 1ZKWA 2NP0A 2ISGA 4KUFA 3QW6A 5BQMA 2XHLA 5BQNA 4ZKTB 4KS6A 2W2DA 3C88A 3C8AA 3BONA 3V0AA 1S0CA 3ZURA 1YVGA 4EL4A 3V0BB 3DDBA 3V0AB 4J1LA 3BTAA 1S0EA 1G9AA 1F82A 1T3CA 2ISHA 1XTFA 1S0GA 1Z7HA 1E1HA 3QIYA 1XTGA 3D3XA 4ELCA 1ZKXA 2IMAA 3NF3A 2NZ9A 3DEBA 2G7NA 3DS9A
chains in the Genus database with same CATH homology


 
#chains in the Genus database with same CATH superfamily
 2ISE A;  4HEV A;  3FFZ A;  3FII A;  1S0D A;  3C89 A;  1S0F A;  1ZB7 A;  3BWI A;  3DSE A;  3BOK A;  3QIX A;  1G9C A;  3QW7 A;  1ZL5 A;  3QW5 A;  1S0B A;  3QJ0 A;  2G7K A;  1ZL6 A;  3C8B A;  4KTX A;  3BOO A;  1G9D A;  2IMB A;  4EJ5 A;  3QW8 A;  2QN0 A;  2ETF A;  3QIZ A;  3K3Q B;  3VUO A;  2IMC A;  3V0B A;  1ZN3 A;  1EPW A;  3ZUQ A;  2G7P A;  2G7Q A;  1I1E A;  3DDA A;  1T3A A;  3FIE A;  2ILP A;  2A97 A;  1F31 A;  2FPQ A;  2NYY A;  3ZUS A;  1G9B A;  2A8A A;  4ZJX A;  1ZKW A;  2NP0 A;  2ISG A;  4KUF A;  3QW6 A;  5BQM A;  2XHL A;  5BQN A;  4ZKT B;  4KS6 A;  2W2D A;  3C88 A;  3C8A A;  3BON A;  3V0A A;  1S0C A;  3ZUR A;  1YVG A;  4EL4 A;  3V0B B;  3DDB A;  3V0A B;  4J1L A;  3BTA A;  1S0E A;  1G9A A;  1F82 A;  1T3C A;  2ISH A;  1XTF A;  1S0G A;  1Z7H A;  1E1H A;  3QIY A;  1XTG A;  3D3X A;  4ELC A;  1ZKX A;  2IMA A;  3NF3 A;  2NZ9 A;  3DEB A;  2G7N A;  3DS9 A; 
#chains in the Genus database with same CATH topology
 2ISE A;  4HEV A;  3FFZ A;  2YPT A;  3FII A;  1S0D A;  3C89 A;  1S0F A;  1ZB7 A;  3BWI A;  3DSE A;  3BOK A;  3QIX A;  1G9C A;  3QW7 A;  1ZL5 A;  3QW5 A;  1S0B A;  3QJ0 A;  4AW6 A;  2G7K A;  1ZL6 A;  3C8B A;  4KTX A;  3BOO A;  1G9D A;  2IMB A;  4EJ5 A;  3QW8 A;  2QN0 A;  2EJQ A;  4QHF A;  2ETF A;  3QIZ A;  3CQB A;  3K3Q B;  3VUO A;  2IMC A;  3V0B A;  1ZN3 A;  1EPW A;  3ZUQ A;  2G7P A;  2G7Q A;  1I1E A;  3DDA A;  1T3A A;  3FIE A;  2ILP A;  2A97 A;  1F31 A;  2FPQ A;  2NYY A;  3ZUS A;  1G9B A;  2A8A A;  4ZJX A;  1ZKW A;  2NP0 A;  2ISG A;  4KUF A;  3QW6 A;  5BQM A;  2XHL A;  5BQN A;  4JIX A;  4ZKT B;  4KS6 A;  2W2D A;  3E11 A;  3C88 A;  3C8A A;  3BON A;  3V0A A;  1S0C A;  3ZUR A;  1YVG A;  4EL4 A;  4JIU A;  3V0B B;  3DDB A;  3V0A B;  4J1L A;  3BTA A;  1S0E A;  1G9A A;  1F82 A;  1T3C A;  2ISH A;  1XTF A;  1S0G A;  1Z7H A;  3QIY A;  1E1H A;  1XTG A;  3D3X A;  4ELC A;  1ZKX A;  2IMA A;  3NF3 A;  2NZ9 A;  3DEB A;  2G7N A;  3DS9 A;  4IL3 A; 
#chains in the Genus database with same CATH homology
 2ISE A;  4HEV A;  3FFZ A;  3FII A;  1S0D A;  3C89 A;  1S0F A;  1ZB7 A;  3BWI A;  3DSE A;  3BOK A;  3QIX A;  1G9C A;  3QW7 A;  1ZL5 A;  3QW5 A;  1S0B A;  3QJ0 A;  2G7K A;  1ZL6 A;  3C8B A;  4KTX A;  3BOO A;  1G9D A;  2IMB A;  4EJ5 A;  3QW8 A;  2QN0 A;  2ETF A;  3QIZ A;  3K3Q B;  3VUO A;  2IMC A;  3V0B A;  1ZN3 A;  1EPW A;  3ZUQ A;  2G7P A;  2G7Q A;  1I1E A;  3DDA A;  1T3A A;  3FIE A;  2ILP A;  2A97 A;  1F31 A;  2FPQ A;  2NYY A;  3ZUS A;  1G9B A;  2A8A A;  4ZJX A;  1ZKW A;  2NP0 A;  2ISG A;  4KUF A;  3QW6 A;  5BQM A;  2XHL A;  5BQN A;  4ZKT B;  4KS6 A;  2W2D A;  3C88 A;  3C8A A;  3BON A;  3V0A A;  1S0C A;  3ZUR A;  1YVG A;  4EL4 A;  3V0B B;  3DDB A;  3V0A B;  4J1L A;  3BTA A;  1S0E A;  1G9A A;  1F82 A;  1T3C A;  2ISH A;  1XTF A;  1S0G A;  1Z7H A;  1E1H A;  3QIY A;  1XTG A;  3D3X A;  4ELC A;  1ZKX A;  2IMA A;  3NF3 A;  2NZ9 A;  3DEB A;  2G7N A;  3DS9 A; 
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similar chains in the Genus database (?% sequence similarity)
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similar chains in the pdb database (?% sequence similarity)

 
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#similar chains, but unknotted
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