Structures A

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The original sequences (Dataset A) were compared to a structural database to create a set of structures that contain a CYS residue that is known to be S-nitrosylated.

Some sequences found in the original dataset contained more than one CYS residue, and do not appear in this positive data set.

The data below is in CSV, with the following format:

  • 1: Swissprot accession code
  • 2: Top PDB hit by sequence similarity
  • 3: Chain containing the nitrosylated CYS residue
  • 4: Index of the nitrosylated CYS residue within the chain
  • 5: Class of sequence (always +1, for positive s-nitrosylation)
  • 6: Index of residue in the Molecular Biology Toolkit
  • 7+: Alternative PDB structures with low E values.
  • T: Terminator for alternate PDB structures
  • T+1: Original sequence
Q6P9V9,1Z2B,C,376,+1,365,1Z2BC,1SA1C,1IA0A,1TVKA,T,RAVCMLSNTTAIAEAWARL
Q6P9V9,1Z2B,C,347,+1,336,1Z2BC,1SA1C,1IA0A,1TVKA,T,RSIQFVDWCPTGFKV
P69897,1SA1,D,241,+1,237,1SA1D,1TVKB,1Z2BD,1Z2BC,T,KLTTPTYGDLNHLVSATMSGVTTCLRF
P69897,1SA1,D,305,+1,301,1SA1D,1TVKB,1Z2BD,1Z2BC,T,KNMMAACDPRH
P69897,1SA1,D,356,+1,352,1SA1D,1TVKB,1Z2BD,1Z2BC,T,KTAVCDIPPRG
Q05962,2C3E,A,159,+1,158,2C3EA,T,REFNGLGDCLTKI
Q05962,2C3E,A,256,+1,255,2C3EA,T,KGADIMYTGTVDCWRK
P04797,1U8F,R,247,+1,244,1U8FR,1ZNQQ,1J0XR,3GPDG,T,RVPTPNVSVVDLTCRL
Q9D6M3,1OKC,A,256,+1,254,1OKCA,T,RGVNEDTYSGFLDCARK
P11980,1F3W,H,357,+1,345,1F3WH,1PKM_,1AQFH,1F3XH,T,RAEGSDVANAVLDGADCIMLSGETAKG *
P14152,5MDH,B,136,+1,135,5MDHB,4MDHB,1BMDB,2CVQB,T,KVIVVGNPANTNCLTASKS
P07335,1G0W,A,283,+1,281,1G0WA,1QH4D,2CRKA,1I0ED,T,KNYEFMWNPHLGYILTCPSNLGTGLRA
P09605,1CRK,D,278,+1,277,1CRKD,1QK1H,1G0WA,1U6RB,T,RLGYILTCPSNLGTGLRA
P11442,1XI5,I,870,+1,869,1XI5I,1BPOC,1B89A,1UTCB,T,RIHEGCEEPATHNALAKI
P28663,1QQE,A,208,+1,207,1QQEA,T,KADPQEAINCLNAAIDIYTDMGRF
P61765,1DN1,A,110,+1,106,1DN1A,1FVHA,1EPUA,,T,RAAHVFFTDSCPDALFNELVKS
P47809,1S9I,B,211,+1,152,1S9IB,1S9JA,1YHVA,1YHWA,T,KLCDFGISGQLVDSIAKT *
P21708,1TVO,A,161,+1,153,1TVOA,4ERK_,1GOL_,2ERK_,T,RDLKPSNLLINTTCDLKI *
P30033,1CIP,A,139,+1,107,1CIPA,1SVSA,1GIT_,1GIL_,T,RLWGDSGIQECFNRS *
P63329,1AUI,A,228,+1,214,1AUIA,1TCOA,1MF8A,1M63E,T,RFKEPPAYGPMCDILWSDPLEDFGNEKT *
Q9QUR7,1NMV,A,113,+1,112,1NMVA,1F8AB,1NMWA,1YW5A,T,KSGEEDFESLASQFSDCSSAKA
Q02293,1TN8,B,799,+1,282,1TN8B,1O1TB,1TN6B,1N9AB,T,KLVDGCYSFWQAGLLPLLHRA *
P04906,1GSY,B,47,+1,46,1GSYB,1BAYB,1GTIF,2PGTB,T,KSTCLYGQLPKF
Q07009,1KFU,L,301,+1,299,1DF0A,1U5IA,1KFUL,1QXPB,T,KWNDNCPSWNTVDPEVRA
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