PDB entry 4ae1

View 4ae1 on RCSB PDB site
Description: Crystal structure of diphtheria toxin mutant CRM197 in complex with nicotinamide
Class: toxin
Keywords: toxin
Deposited on 2012-01-04, released 2012-03-28
The last revision prior to the SCOPe 2.04 freeze date was dated 2012-04-18, with a file datestamp of 2012-04-13.
Experiment type: XRAY
Resolution: 2.08 Å
R-factor: 0.198
AEROSPACI score: 0.42 (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 P00588 (0-534)
      • engineered mutation (51)
    Domains in SCOPe 2.04: d4ae1a1, d4ae1a2, d4ae1a3
  • Chain 'B':
    Compound: diphtheria toxin
    Species: Corynebacterium diphtheriae [TaxId:1717]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P00588 (Start-534)
      • engineered mutation (51)
    Domains in SCOPe 2.04: d4ae1b1, d4ae1b2, d4ae1b3
  • Heterogens: NCA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4ae1A (A:)
gaddvvdssksfvmenfssyhgtkpgyvdsiqkgiqkpksgtqgnydddwkefystdnky
daagysvdnenplsgkaggvvkvtypgltkvlalkvdnaetikkelglslteplmeqvgt
eefikrfgdgasrvvlslpfaegsssveyinnweqakalsveleinfetrgkrgqdamye
ymaqacagnrvrrsvgsslscinldwdvirdktktkieslkehgpiknkmsespnktvse
ekakqyleefhqtalehpelselktvtgtnpvfaganyaawavnvaqvidsetadnlekt
taalsilpgigsvmgiadgavhhnteeivaqsialsslmvaqaiplvgelvdigfaaynf
vesiinlfqvvhnsynrpayspghktqpflhdgyavswntvedsiirtgfqgesghdiki
taentplpiagvllptipgkldvnkskthisvngrkirmrcraidgdvtfcrpkspvyvg
ngvhanlhvafhrsssekihsneissdsigvlgyqktvdhtkvnsklslffeiks

    Sequence, based on observed residues (ATOM records): (download) 
    >4ae1A (A:)
gaddvvdssksfvmenfssyhgtkpgyvdsiqkgiqkkefystdnkydaagysvdnenpl
sgkaggvvkvtypgltkvlalkvdnaetikkelglslteplmeqvgteefikrfgdgasr
vvlslpfaegsssveyinnweqakalsveleinfetrgkrgqdamyeymaqacascinld
wdvirdktktkieslkehgpiknkmsespnktvseekakqyleefhqtalehpelselkt
vtgtnpvfaganyaawavnvaqvidsetadnlekttaalsilpgigsvmgiadgavhhnt
eeivaqsialsslmvaqaiplvgegfaaynfvesiinlfqvvhnsynrpayspghktqpf
lhdgyavswntvedsiirtgfqgesghdikitaentplpiagvllptipgkldvnkskth
isvngrkirmrcraidgdvtfcrpkspvyvgngvhanlhvafhrsssekihsissdsigv
lgyqkhtkvnsklslffeiks

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4ae1B (B:)
gaddvvdssksfvmenfssyhgtkpgyvdsiqkgiqkpksgtqgnydddwkefystdnky
daagysvdnenplsgkaggvvkvtypgltkvlalkvdnaetikkelglslteplmeqvgt
eefikrfgdgasrvvlslpfaegsssveyinnweqakalsveleinfetrgkrgqdamye
ymaqacagnrvrrsvgsslscinldwdvirdktktkieslkehgpiknkmsespnktvse
ekakqyleefhqtalehpelselktvtgtnpvfaganyaawavnvaqvidsetadnlekt
taalsilpgigsvmgiadgavhhnteeivaqsialsslmvaqaiplvgelvdigfaaynf
vesiinlfqvvhnsynrpayspghktqpflhdgyavswntvedsiirtgfqgesghdiki
taentplpiagvllptipgkldvnkskthisvngrkirmrcraidgdvtfcrpkspvyvg
ngvhanlhvafhrsssekihsneissdsigvlgyqktvdhtkvnsklslffeiks

    Sequence, based on observed residues (ATOM records): (download) 
    >4ae1B (B:)
ddvvdssksfvmenfssyhgtkpgyvdsiqkgiqkkefystdnkydaagysvdnenplsg
kaggvvkvtypgltkvlalkvdnaetikkelglslteplmeqvgteefikrfgdgasrvv
lslpfaegsssveyinnweqakalsveleinfetrgkrgqdamyeymaqacacinldwdv
irdktktkieslkehgpiknkmsespnktvseekakqyleefhqtalehpelselktvtg
tnpvfaganyaawavnvaqvidsetadnlekttaalsilpgigsvmgiadgavhhnteei
vaqsialsslmvaqaiplvgelvgfaaynfvesiinlfqvvhnsynrpayspghktqpfl
hdgyavswntvedsiirtgfqgesghdikitaentplpiagvllptipgkldvnkskthi
svngrkirmrcraidgdvtfcrpkspvyvgngvhanlhvafhrsssekihsneissdsig
vlgyqktkvnsklslffeiks