PDB entry 6i6r

View 6i6r on RCSB PDB site
Description: new irreversible a-l-iduronidase inhibitors and activity-based probes
Deposited on 2018-11-15, released 2018-12-05
The last revision was dated 2020-07-29, with a file datestamp of 2020-06-29.
Experiment type: XRAY
Resolution: 2.02 Å
R-factor: N/A
AEROSPACI score: 0.39 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Alpha-L-iduronidase
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P35475 (0-End)
      • conflict (6)
  • Chain 'B':
    Compound: Alpha-L-iduronidase
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P35475
      • conflict (6)
      • conflict (36)
  • Heterogens: H62, NAG, GOL, TLA, CL, HOH

PDB Chain Sequences:
This PDB entry is not classified in SCOPe 2.08, so the chain sequences below are not included in the ASTRAL sequence sets.

  • Chain 'A':
    Sequence, based on SEQRES records:
    >6i6rA (A:)
eaphlvqvdaaralwplrrfwrstgfcpplphsqadpyvlswdqqlnlayvgavphrgik
qvrthwllelvttrgstgqglsynfthldgyldllrenqllpgfelmgsasghftdfedk
qqvfewkdlvsslarryigryglahvskwnfetwnepdhhdfdnvsmtmqgflnyydacs
eglraaspalrlggpgdsfhtpprsplswgllrhchdgtnfftgeagvrldyislhrkga
rssisileqekvvaqqirqlfpkfadtpiyndeadplvgwslpqpwradvtyaamvvkvi
aqhqnlllanttsafpyallsndnaflsyhphpfaqrtltarfqvnntrpphvqllrkpv
ltamgllalldeeqlwaevsqagtvldsnhtvgvlasahrpqgpadawraavliyasddt
rahpnrsvavtlrlrgvppgpglvyvtryldnglcspdgewrrlgrpvfptaeqfrrmra
aedpvaaaprplpaggrltlrpalrlpslllvhvcarpekppgqvtrlralpltqgqlvl
vwsdehvgskclwtyeiqfsqdgkaytpvsrkpstfnlfvfspdtgavsgsyrvraldyw
arpgpfsdpvpylevpvprgppspgnp

    Sequence, based on observed residues (ATOM records):
    >6i6rA (A:)
eaphlvqvdaaralwplrrfwrstgfcpplyvlswdqqlnlayvgavphrgikqvrthwl
lelvttrglsynfthldgyldllrenqllpgfelmgsasghftdfedkqqvfewkdlvss
larryigryglahvskwnfetwnepdhhdfdnvsmtmqgflnyydacseglraaspalrl
ggpgdsfhtpprsplswgllrhchdgtnfftgeagvrldyislhrkgarssisileqekv
vaqqirqlfpkfadtpiyndeadplvgwslpqpwradvtyaamvvkviaqhqnlllaafp
yallsndnaflsyhphpfaqrtltarfqvnntrpphvqllrkpvltamgllalldeeqlw
aevsqagtvldsnhtvgvlasahrpqgpadawraavliyasddtrahpnrsvavtlrlrg
vppgpglvyvtryldnglcspdgewrrlgrpvfptaeqfrrmraaedpvaaaprplpagg
rltlrpalrlpslllvhvcarpekppgqvtrlralpltqgqlvlvwsdehvgskclwtye
iqfsqaytpvsrkpstfnlfvfspdtgavsgsyrvraldywarpgpfsdpvpylevp

  • Chain 'B':
    Sequence, based on SEQRES records:
    >6i6rB (B:)
eaphlvqvdaaralwplrrfwrstgfcpplphsqadpyvlswdqqlnlayvgavphrgik
qvrthwllelvttrgstgqglsynfthldgyldllrenqllpgfelmgsasghftdfedk
qqvfewkdlvsslarryigryglahvskwnfetwnepdhhdfdnvsmtmqgflnyydacs
eglraaspalrlggpgdsfhtpprsplswgllrhchdgtnfftgeagvrldyislhrkga
rssisileqekvvaqqirqlfpkfadtpiyndeadplvgwslpqpwradvtyaamvvkvi
aqhqnlllanttsafpyallsndnaflsyhphpfaqrtltarfqvnntrpphvqllrkpv
ltamgllalldeeqlwaevsqagtvldsnhtvgvlasahrpqgpadawraavliyasddt
rahpnrsvavtlrlrgvppgpglvyvtryldnglcspdgewrrlgrpvfptaeqfrrmra
aedpvaaaprplpaggrltlrpalrlpslllvhvcarpekppgqvtrlralpltqgqlvl
vwsdehvgskclwtyeiqfsqdgkaytpvsrkpstfnlfvfspdtgavsgsyrvraldyw
arpgpfsdpvpylevpvprgppspgnp

    Sequence, based on observed residues (ATOM records):
    >6i6rB (B:)
aphlvqvdaaralwplrrfwrstgfcpppyvlswdqqlnlayvgavphrgikqvrthwll
elvttlsynfthldgyldllrenqllpgfelmgsasghftdfedkqqvfewkdlvsslar
ryigryglahvskwnfetwnepdhhdfdnvsmtmqgflnyydacseglraaspalrlggp
gdsfhtpprsplswgllrhchdgtnfftgeagvrldyislhrkgarssisileqekvvaq
qirqlfpkfadtpiyndeadplvgwslpqpwradvtyaamvvkviaqhqnlllaafpyal
lsndnaflsyhphpfaqrtltarfqvnntrpphvqllrkpvltamgllalldeeqlwaev
sqagtvldsnhtvgvlasahrpqgpadawraavliyasddtrahpnrsvavtlrlrgvpp
gpglvyvtryldnglcspdgewrrlgrpvfptaeqfrrmraaedpvaaaprplpaggrlt
lrpalrlpslllvhvcarpekppgqvtrlralpltqgqlvlvwsdehvgskclwtyeiqf
sqdgkaytpvsrkpstfnlfvfspdtgavsgsyrvraldywarpgpfsdpvpylevpvp