PDB entry 5i82

View 5i82 on RCSB PDB site
Description: First Crystal Structure of E.coli Based Recombinant Diphtheria Toxin Mutant CRM197
Class: transferase
Keywords: Diphtheria Toxin, CRM197, CSGID, Recombinant, Structural Genomics, Center for Structural Genomics of Infectious Diseases, TRANSFERASE
Deposited on 2016-02-18, released 2016-03-02
The last revision prior to the SCOPe 2.08 freeze date was dated 2021-01-27, with a file datestamp of 2021-01-22.
Experiment type: XRAY
Resolution: 2.35 Å
R-factor: N/A
AEROSPACI score: 0.33 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: diphtheria toxin
    Species: Corynebacterium diphtheriae [TaxId:1717]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5PY51 (Start-534)
      • engineered mutation (51)
    Domains in SCOPe 2.08: d5i82a1, d5i82a2, d5i82a3
  • Chain 'B':
    Compound: diphtheria toxin
    Species: Corynebacterium diphtheriae [TaxId:1717]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5PY51 (Start-534)
      • engineered mutation (51)
    Domains in SCOPe 2.08: d5i82b1, d5i82b2, d5i82b3
  • Chain 'C':
    Compound: diphtheria toxin
    Species: Corynebacterium diphtheriae [TaxId:1717]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5PY51 (0-534)
      • engineered mutation (51)
    Domains in SCOPe 2.08: d5i82c1, d5i82c2, d5i82c3
  • Chain 'D':
    Compound: diphtheria toxin
    Species: Corynebacterium diphtheriae [TaxId:1717]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5PY51 (0-534)
      • engineered mutation (51)
    Domains in SCOPe 2.08: d5i82d1, d5i82d2, d5i82d3
  • Heterogens: SO4, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5i82A (A:)
gaddvvdssksfvmenfssyhgtkpgyvdsiqkgiqkpksgtqgnydddwkefystdnky
daagysvdnenplsgkaggvvkvtypgltkvlalkvdnaetikkelglslteplmeqvgt
eefikrfgdgasrvvlslpfaegsssveyinnweqakalsveleinfetrgkrgqdamye
ymaqacagnrvrrsvgsslscinldwdvirdktktkieslkehgpiknkmsespnktvse
ekakqyleefhqtalehpelselktvtgtnpvfaganyaawavnvaqvidsetadnlekt
taalsilpgigsvmgiadgavhhnteeivaqsialsslmvaqaiplvgelvdigfaaynf
vesiinlfqvvhnsynrpayspghktqpflhdgyavswntvedsiirtgfqgesghdiki
taentplpiagvllptipgkldvnkskthisvngrkirmrcraidgdvtfcrpkspvyvg
ngvhanlhvafhrsssekihsneissdsigvlgyqktvdhtkvnsklslffeiks

    Sequence, based on observed residues (ATOM records): (download) 
    >5i82A (A:)
addvvdssksfvmenfssyhgtkpgyvdsiqkgiqkpkefystdnkydaagysvdnenpl
sgkaggvvkvtypgltkvlalkvdnaetikkelglslteplmeqvgteefikrfgdgasr
vvlslpfaegsssveyinnweqakalsveleinfetrgkrgqdamyeymaqacalscinl
dwdvirdktktkieslkehgpiknkmsespnktvseekakqyleefhqtalehpelselk
tvtgtnpvfaganyaawavnvaqvidsetadnlekttaalsilpgigsvmgiadgavhhn
teeivaqsialsslmvaqaiplvgelvdigfaaynfvesiinlfqvvhnsynrpayspgh
ktqpflhdgyavswntvedsiirtgfqgesghdikitaentplpiagvllptipgkldvn
kskthisvngrkirmrcraidgdvtfcrpkspvyvgngvhanlhvafhrsssekihsnei
ssdsigvlgyqkthtkvnsklslffeiks

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >5i82B (B:)
gaddvvdssksfvmenfssyhgtkpgyvdsiqkgiqkpksgtqgnydddwkefystdnky
daagysvdnenplsgkaggvvkvtypgltkvlalkvdnaetikkelglslteplmeqvgt
eefikrfgdgasrvvlslpfaegsssveyinnweqakalsveleinfetrgkrgqdamye
ymaqacagnrvrrsvgsslscinldwdvirdktktkieslkehgpiknkmsespnktvse
ekakqyleefhqtalehpelselktvtgtnpvfaganyaawavnvaqvidsetadnlekt
taalsilpgigsvmgiadgavhhnteeivaqsialsslmvaqaiplvgelvdigfaaynf
vesiinlfqvvhnsynrpayspghktqpflhdgyavswntvedsiirtgfqgesghdiki
taentplpiagvllptipgkldvnkskthisvngrkirmrcraidgdvtfcrpkspvyvg
ngvhanlhvafhrsssekihsneissdsigvlgyqktvdhtkvnsklslffeiks

    Sequence, based on observed residues (ATOM records): (download) 
    >5i82B (B:)
ddvvdssksfvmenfssyhgtkpgyvdsiqkgiqkdwkefystdnkydaagysvdnenpl
sgkaggvvkvtypgltkvlalkvdnaetikkelglslteplmeqvgteefikrfgdgasr
vvlslpfaegsssveyinnweqakalsveleinfetrgkrgqdamyeymaqacascinld
wdvirdktktkieslkehgpiknkmsespnktvseekakqyleefhqtalehpelselkt
vtgtnpvfaganyaawavnvaqvidsetadnlekttaalsilpgigsvmgiadgavhhnt
eeivaqsialsslmvaqaiplvgelvdigfaaynfvesiinlfqvvhnsynrpayspghk
tqpflhdgyavswntvedsiirtgfqgesghdikitaentplpiagvllptipgkldvnk
skthisvngrkirmrcraidgdvtfcrpkspvyvgngvhanlhvafhrsssekihsneis
sdsigvlgyqktvdhtkvnsklslffeiks

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >5i82C (C:)
gaddvvdssksfvmenfssyhgtkpgyvdsiqkgiqkpksgtqgnydddwkefystdnky
daagysvdnenplsgkaggvvkvtypgltkvlalkvdnaetikkelglslteplmeqvgt
eefikrfgdgasrvvlslpfaegsssveyinnweqakalsveleinfetrgkrgqdamye
ymaqacagnrvrrsvgsslscinldwdvirdktktkieslkehgpiknkmsespnktvse
ekakqyleefhqtalehpelselktvtgtnpvfaganyaawavnvaqvidsetadnlekt
taalsilpgigsvmgiadgavhhnteeivaqsialsslmvaqaiplvgelvdigfaaynf
vesiinlfqvvhnsynrpayspghktqpflhdgyavswntvedsiirtgfqgesghdiki
taentplpiagvllptipgkldvnkskthisvngrkirmrcraidgdvtfcrpkspvyvg
ngvhanlhvafhrsssekihsneissdsigvlgyqktvdhtkvnsklslffeiks

    Sequence, based on observed residues (ATOM records): (download) 
    >5i82C (C:)
gaddvvdssksfvmenfssyhgtkpgyvdsiqkgiqkpddwkefystdnkydaagysvdn
enplsgkaggvvkvtypgltkvlalkvdnaetikkelglslteplmeqvgteefikrfgd
gasrvvlslpfaegsssveyinnweqakalsveleinfetrgkrgqdamyeymaqacasc
inldwdvirdktktkieslkehgpiknkmsespnktvseekakqyleefhqtalehpels
elktvtgtnpvfaganyaawavnvaqvidsetadnlekttaalsilpgigsvmgiadgav
hhnteeivaqsialsslmvaqaiplvgelvdigfaaynfvesiinlfqvvhnsynrpays
pghktqpflhdgyavswntvedsiirtgfqgesghdikitaentplpiagvllptipgkl
dvnkskthisvngrkirmrcraidgdvtfcrpkspvyvgngvhanlhvafhrsssekihs
neissdsigvlgyqktvdhtkvnsklslffeiks

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >5i82D (D:)
gaddvvdssksfvmenfssyhgtkpgyvdsiqkgiqkpksgtqgnydddwkefystdnky
daagysvdnenplsgkaggvvkvtypgltkvlalkvdnaetikkelglslteplmeqvgt
eefikrfgdgasrvvlslpfaegsssveyinnweqakalsveleinfetrgkrgqdamye
ymaqacagnrvrrsvgsslscinldwdvirdktktkieslkehgpiknkmsespnktvse
ekakqyleefhqtalehpelselktvtgtnpvfaganyaawavnvaqvidsetadnlekt
taalsilpgigsvmgiadgavhhnteeivaqsialsslmvaqaiplvgelvdigfaaynf
vesiinlfqvvhnsynrpayspghktqpflhdgyavswntvedsiirtgfqgesghdiki
taentplpiagvllptipgkldvnkskthisvngrkirmrcraidgdvtfcrpkspvyvg
ngvhanlhvafhrsssekihsneissdsigvlgyqktvdhtkvnsklslffeiks

    Sequence, based on observed residues (ATOM records): (download) 
    >5i82D (D:)
gaddvvdssksfvmenfssyhgtkpgyvdsiqkgiqkwkefystdnkydaagysvdnenp
lsgkaggvvkvtypgltkvlalkvdnaetikkelglslteplmeqvgteefikrfgdgas
rvvlslpfaegsssveyinnweqakalsveleinfetrgkrgqdamyeymaqacascinl
dwdvirdktktkieslkehgpiknkmsespnktvseekakqyleefhqtalehpelselk
tvtgtnpvfaganyaawavnvaqvidsetadnlekttaalsilpgigsvmgiadgavhhn
teeivaqsialsslmvaqaiplvgelvdigfaaynfvesiinlfqvvhnsynrpayspgh
ktqpflhdgyavswntvedsiirtgfqgesghdikitaentplpiagvllptipgkldvn
kskthisvngrkirmrcraidgdvtfcrpkspvyvgngvhanlhvafhrsssekihsnei
ssdsigvlgyqktkvnsklslffeiks