PDB entry 6ro0

View 6ro0 on RCSB PDB site
Description: crystal structure of genetically detoxified pertussis toxin gdpt.
Class: toxin
Keywords: toxin
Deposited on 2019-05-10, released 2020-06-03
The last revision prior to the SCOPe 2.07 freeze date was dated 2020-06-03, with a file datestamp of 2020-05-29.
Experiment type: XRAY
Resolution: 2.13 Å
R-factor: N/A
AEROSPACI score: 0.27 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Pertussis toxin subunit 1
    Species: Bordetella pertussis [TaxId:520]
    Gene: ptxA
    Database cross-references and differences (RAF-indexed):
    • Uniprot T1SR96 (Start-268)
      • engineered mutation (42)
      • engineered mutation (162)
    Domains in SCOPe 2.07: d6ro0a_
  • Chain 'B':
    Compound: Islet-activating protein S2
    Species: Bordetella pertussis [TaxId:520]
    Gene: ptxB, CYO81_20230, ERS004697_00332, ERS004704_00067, ERS004709_00223, ERS005128_00199, ERS005179_00182, ERS014547_00750, NCTC10911_00247
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6ro0b1, d6ro0b2
  • Chain 'C':
    Compound: Islet-activating protein S3
    Species: Bordetella pertussis [TaxId:520]
    Gene: ptxS3, ptxC, ptxC_1, ptxC_2, CYO81_20245, ERS004697_00106, ERS004704_00094, ERS004709_00174, ERS005128_00196, ERS005179_00179, ERS014547_00747, ERS014550_01623, NCTC10911_00250
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6ro0c1, d6ro0c2
  • Chain 'D':
    Compound: Islet-activating protein S4
    Species: Bordetella pertussis [TaxId:520]
    Gene: ptxD, CYO81_20235, ERS005128_00198, ERS005179_00181, ERS014547_00749, NCTC10911_00248
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6ro0d_
  • Chain 'E':
    Compound: Islet-activating protein S4
    Species: Bordetella pertussis [TaxId:520]
    Gene: ptxD, CYO81_20235, ERS005128_00198, ERS005179_00181, ERS014547_00749, NCTC10911_00248
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6ro0e_
  • Chain 'F':
    Compound: Pertussis toxin subunit 5
    Species: Bordetella pertussis [TaxId:520]
    Gene: ptxE, ERS004697_00105, ERS004704_00093, ERS004709_00175, ERS005128_00197, ERS005179_00180, ERS014547_00748, ERS014550_01624, ERS018341_00090
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6ro0f_
  • Chain 'G':
    Compound: Pertussis toxin subunit 1
    Species: Bordetella pertussis [TaxId:520]
    Gene: ptxA
    Database cross-references and differences (RAF-indexed):
    • Uniprot T1SR96 (Start-268)
      • engineered mutation (42)
      • engineered mutation (162)
    Domains in SCOPe 2.07: d6ro0g_
  • Chain 'H':
    Compound: Islet-activating protein S2
    Species: Bordetella pertussis [TaxId:520]
    Gene: ptxB, CYO81_20230, ERS004697_00332, ERS004704_00067, ERS004709_00223, ERS005128_00199, ERS005179_00182, ERS014547_00750, NCTC10911_00247
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6ro0h1, d6ro0h2
  • Chain 'I':
    Compound: Islet-activating protein S3
    Species: Bordetella pertussis [TaxId:520]
    Gene: ptxS3, ptxC, ptxC_1, ptxC_2, CYO81_20245, ERS004697_00106, ERS004704_00094, ERS004709_00174, ERS005128_00196, ERS005179_00179, ERS014547_00747, ERS014550_01623, NCTC10911_00250
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6ro0i1, d6ro0i2
  • Chain 'J':
    Compound: Islet-activating protein S4
    Species: Bordetella pertussis [TaxId:520]
    Gene: ptxD, CYO81_20235, ERS005128_00198, ERS005179_00181, ERS014547_00749, NCTC10911_00248
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6ro0j_
  • Chain 'K':
    Compound: Islet-activating protein S4
    Species: Bordetella pertussis [TaxId:520]
    Gene: ptxD, CYO81_20235, ERS005128_00198, ERS005179_00181, ERS014547_00749, NCTC10911_00248
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6ro0k_
  • Chain 'L':
    Compound: Pertussis toxin subunit 5
    Species: Bordetella pertussis [TaxId:520]
    Gene: ptxE, ERS004697_00105, ERS004704_00093, ERS004709_00175, ERS005128_00197, ERS005179_00180, ERS014547_00748, ERS014550_01624, ERS018341_00090
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6ro0l_
  • Heterogens: GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6ro0A (A:)
mrctrairqtartgwltwlailavtapvtspawaddppatvykydsrppedvfqngftaw
gnndnvlehltgrscqvgssnsafvstsssrrytevylehrmqeaveaeragrgtghfig
yiyevradnnfygaassyfeyvdtygdnagrilagalatyqsgylahrrippenirrvtr
vyhngitgetttteysnaryvsqqtranpnpytsrrsvasivgtlvrmapvvgacmarqa
esseamaawserageamvlvyyesiaysf

    Sequence, based on observed residues (ATOM records): (download) 
    >6ro0A (A:)
dppatvykydsrppedvfqngftawgnndnvlehltgrscqvgssnsafvstsssrryte
vylehrmqeaveaeragrgtghfigyiyevradnnfygaassyfeyvdtygdnagrilag
alatyqsgylahrrippenirrvtrvyhngitgetttteysnaryvsqqtranpnpytsr
rsvasivgtlvrmapvvgacmarqaesseeamvlvyyesiaysf

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6ro0B (B:)
mpidrktlchllsvlplallgshvarastpgivippqeqitqhgspygrcanktraltva
elrgsgdlqeylrhvtrgwsifalydgtylggeyggvikdgtpggafdlkttfcimttrn
tgqpatdhyysnvtatrllsstnsrlcavfvrsgqpvigactspydgkywsmysrlrkml
yliyvagisvrvhvskeeqyydyedatfetyaltgisicnpgsslc

    Sequence, based on observed residues (ATOM records): (download) 
    >6ro0B (B:)
pgivippqeqitqhgspygrcanktraltvaelrgsgdlqeylrhvtrgwsifalydgty
lggeyggvikdgtpggafdlkttfcimttrntgqpatdhyysnvtatrllsstnsrlcav
fvrsgqpvigactspydgkywsmysrlrkmlyliyvagisvrvhvskeeqyydyedatfe
tyaltgisicnpgsslc

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >6ro0C (C:)
mlinnkkllhhilpilvlallgmrtaqavapgivippkalftqqggaygrcpngtraltv
aelrgnaelqtylrqitpgwsiyglydgtylgqayggiikdappgagfiyretfcittiy
ktgqpaadhyyskvtatrllastnsrlcavfvrdgqsvigacaspyegryrdmydalrrl
lymiymsglavrvhvskeeqyydyedatfqtyaltgislcnpaasic

    Sequence, based on observed residues (ATOM records): (download) 
    >6ro0C (C:)
pgivippkalftqqggaygrcpngtraltvaelrgnaelqtylrqitpgwsiyglydgty
lgqayggiikdappgagfiyretfcittiyktgqpaadhyyskvtatrllastnsrlcav
fvrdgqsvigacaspyegryrdmydalrrllymiymsglavrvhvskeeqyydyedatfq
tyaltgislcnpaasic

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >6ro0D (D:)
mlrrfptrttapgqggarrsrvralawllasgamthlspaladvpyvlvktnmvvtsvam
kpyevtptrmlvcgiaaklgaaasspdahvpfcfgkdlkrpgsspmevmlravfmqqrpl
rmflgpkqltfegkpalelirmvecsgkqdcp

    Sequence, based on observed residues (ATOM records): (download) 
    >6ro0D (D:)
dvpyvlvktnmvvtsvamkpyevtptrmlvcgiaaklgaaasspdahvpfcfgkdlkrpg
sspmevmlravfmqqrplrmflgpkqltfegkpalelirmvecsgkqdcp

  • Chain 'E':
    Sequence, based on SEQRES records: (download) 
    >6ro0E (E:)
mlrrfptrttapgqggarrsrvralawllasgamthlspaladvpyvlvktnmvvtsvam
kpyevtptrmlvcgiaaklgaaasspdahvpfcfgkdlkrpgsspmevmlravfmqqrpl
rmflgpkqltfegkpalelirmvecsgkqdcp

    Sequence, based on observed residues (ATOM records): (download) 
    >6ro0E (E:)
dvpyvlvktnmvvtsvamkpyevtptrmlvcgiaaklgaaasspdahvpfcfgkdlkrpg
sspmevmlravfmqqrplrmflgpkqltfegkpalelirmvecsgkqdcp

  • Chain 'F':
    Sequence, based on SEQRES records: (download) 
    >6ro0F (F:)
mqrqaglplkanpmhtiasillsvlgiyspadvaglpthlyknftvqelalklkgknqef
cltafmsgrslvraclsdaghehdtwfdtmlgfaisayalksrialtvedspypgtpgdl
lelqicplngyce

    Sequence, based on observed residues (ATOM records): (download) 
    >6ro0F (F:)
lpthlyknftvqelalklkgknqefcltafmsgrslvraclsdaghehdtwfdtmlgfai
sayalksrialtvedspypgtpgdllelqicplngyce

  • Chain 'G':
    Sequence, based on SEQRES records: (download) 
    >6ro0G (G:)
mrctrairqtartgwltwlailavtapvtspawaddppatvykydsrppedvfqngftaw
gnndnvlehltgrscqvgssnsafvstsssrrytevylehrmqeaveaeragrgtghfig
yiyevradnnfygaassyfeyvdtygdnagrilagalatyqsgylahrrippenirrvtr
vyhngitgetttteysnaryvsqqtranpnpytsrrsvasivgtlvrmapvvgacmarqa
esseamaawserageamvlvyyesiaysf

    Sequence, based on observed residues (ATOM records): (download) 
    >6ro0G (G:)
dppatvykydsrppedvfqngftawgnndnvlehltgrscqvgssnsafvstsssrryte
vylehrmqeaveaeragrgtghfigyiyevradnnfygaassyfeyvdtygdnagrilag
alatyqsgylahrrippenirrvtrvyhngitgetttteysnaryvsqqtranpnpytsr
rsvasivgtlvrmapvvgacmarqaessamvlvyyesiaysf

  • Chain 'H':
    Sequence, based on SEQRES records: (download) 
    >6ro0H (H:)
mpidrktlchllsvlplallgshvarastpgivippqeqitqhgspygrcanktraltva
elrgsgdlqeylrhvtrgwsifalydgtylggeyggvikdgtpggafdlkttfcimttrn
tgqpatdhyysnvtatrllsstnsrlcavfvrsgqpvigactspydgkywsmysrlrkml
yliyvagisvrvhvskeeqyydyedatfetyaltgisicnpgsslc

    Sequence, based on observed residues (ATOM records): (download) 
    >6ro0H (H:)
stpgivippqeqitqhgspygrcanktraltvaelrgsgdlqeylrhvtrgwsifalydg
tylggeyggvikdgtpggafdlkttfcimttrntgqpatdhyysnvtatrllsstnsrlc
avfvrsgqpvigactspydgkywsmysrlrkmlyliyvagisvrvhvskeeqyydyedat
fetyaltgisicnpgsslc

  • Chain 'I':
    Sequence, based on SEQRES records: (download) 
    >6ro0I (I:)
mlinnkkllhhilpilvlallgmrtaqavapgivippkalftqqggaygrcpngtraltv
aelrgnaelqtylrqitpgwsiyglydgtylgqayggiikdappgagfiyretfcittiy
ktgqpaadhyyskvtatrllastnsrlcavfvrdgqsvigacaspyegryrdmydalrrl
lymiymsglavrvhvskeeqyydyedatfqtyaltgislcnpaasic

    Sequence, based on observed residues (ATOM records): (download) 
    >6ro0I (I:)
givippkalftqqggaygrcpngtraltvaelrgnaelqtylrqitpgwsiyglydgtyl
gqayggiikdappgagfiyretfcittiyktgqpaadhyyskvtatrllastnsrlcavf
vrdgqsvigacaspyegryrdmydalrrllymiymsglavrvhvskeeqyydyedatfqt
yaltgislcnpaasic

  • Chain 'J':
    Sequence, based on SEQRES records: (download) 
    >6ro0J (J:)
mlrrfptrttapgqggarrsrvralawllasgamthlspaladvpyvlvktnmvvtsvam
kpyevtptrmlvcgiaaklgaaasspdahvpfcfgkdlkrpgsspmevmlravfmqqrpl
rmflgpkqltfegkpalelirmvecsgkqdcp

    Sequence, based on observed residues (ATOM records): (download) 
    >6ro0J (J:)
dvpyvlvktnmvvtsvamkpyevtptrmlvcgiaaklgaaasspdahvpfcfgkdlkrpg
sspmevmlravfmqqrplrmflgpkqltfegkpalelirmvecsgkqdcp

  • Chain 'K':
    Sequence, based on SEQRES records: (download) 
    >6ro0K (K:)
mlrrfptrttapgqggarrsrvralawllasgamthlspaladvpyvlvktnmvvtsvam
kpyevtptrmlvcgiaaklgaaasspdahvpfcfgkdlkrpgsspmevmlravfmqqrpl
rmflgpkqltfegkpalelirmvecsgkqdcp

    Sequence, based on observed residues (ATOM records): (download) 
    >6ro0K (K:)
dvpyvlvktnmvvtsvamkpyevtptrmlvcgiaaklgaaasspdahvpfcfgkdlkrpg
sspmevmlravfmqqrplrmflgpkqltfegkpalelirmvecsgkqdcp

  • Chain 'L':
    Sequence, based on SEQRES records: (download) 
    >6ro0L (L:)
mqrqaglplkanpmhtiasillsvlgiyspadvaglpthlyknftvqelalklkgknqef
cltafmsgrslvraclsdaghehdtwfdtmlgfaisayalksrialtvedspypgtpgdl
lelqicplngyce

    Sequence, based on observed residues (ATOM records): (download) 
    >6ro0L (L:)
lpthlyknftvqelalklkgknqefcltafmsgrslvraclsdaghehdtwfdtmlgfai
sayalksrialtvedspypgtpgdllelqicplngyce