PDB entry 5raa

View 5raa on RCSB PDB site
Description: PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM009990a
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2020-03-16, released 2020-04-22
The last revision prior to the SCOPe 2.08 freeze date was dated 2020-04-22, with a file datestamp of 2020-04-17.
Experiment type: XRAY
Resolution: 1.57 Å
R-factor: N/A
AEROSPACI score: 0.45 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: lysine-specific demethylase 3b
    Species: Homo sapiens [TaxId:9606]
    Gene: KDM3B, C5orf7, JHDM2B, JMJD1B, KIAA1082
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q7LBC6 (23-End)
      • expression tag (21-22)
      • conflict (244)
      • conflict (249)
    Domains in SCOPe 2.08: d5raaa1, d5raaa2
  • Chain 'B':
    Compound: lysine-specific demethylase 3b
    Species: Homo sapiens [TaxId:9606]
    Gene: KDM3B, C5orf7, JHDM2B, JMJD1B, KIAA1082
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q7LBC6 (23-End)
      • expression tag (22)
      • conflict (244)
      • conflict (249)
    Domains in SCOPe 2.08: d5raab1, d5raab2
  • Heterogens: S3Y, CL, MN, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5raaA (A:)
mhhhhhhssgvdlgtenlyfqsmtshswlcdgrllclhdpsnknnwkifrecwkqgqpvl
vsgvhkklkselwkpeafsqefgdqdvdlvncrncaiisdvkvrdfwdgfeiickrlrse
dgqpmvlklkdwppgedfrdmmptrfedlmenlplpeytkrdgrlnlasrlpsyfvrpdl
gpkmynayglitaedrrvgttnlhldvsdavnvmvyvgipigegahdeevlktidegdad
evtkerihdhkekpgalwhiyaakdaekirellrkvgeeqgqenppdhdpihdqswyldq
tlrkrlyeeygvqgwaivqflgdavfipagaphqvhnlyscikvaedfvspehvkhcfrl
tqefrhlsntht

    Sequence, based on observed residues (ATOM records): (download) 
    >5raaA (A:)
smtshswlcdgrllclhdpsnknnwkifrecwkqgqpvlvsgvhkklkselwkpeafsqe
fgdqdvdlvncrncaiisdvkvrdfwdgfeiickrlrsedgqpmvlklkdwppgedfrdm
mptrfedlmenlplpeytkrdgrlnlasrlpsyfvrpdlgpkmynayglitaedrrvgtt
nlhldvsdavnvmvyvgipigegahdeevlktidegdadevtkerihdhkekpgalwhiy
aakdaekirellrkvgeeqgqenppdhdpihdqswyldqtlrkrlyeeygvqgwaivqfl
gdavfipagaphqvhnlyscikvaedfvspehvkhcfrlt

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >5raaB (B:)
mhhhhhhssgvdlgtenlyfqsmtshswlcdgrllclhdpsnknnwkifrecwkqgqpvl
vsgvhkklkselwkpeafsqefgdqdvdlvncrncaiisdvkvrdfwdgfeiickrlrse
dgqpmvlklkdwppgedfrdmmptrfedlmenlplpeytkrdgrlnlasrlpsyfvrpdl
gpkmynayglitaedrrvgttnlhldvsdavnvmvyvgipigegahdeevlktidegdad
evtkerihdhkekpgalwhiyaakdaekirellrkvgeeqgqenppdhdpihdqswyldq
tlrkrlyeeygvqgwaivqflgdavfipagaphqvhnlyscikvaedfvspehvkhcfrl
tqefrhlsntht

    Sequence, based on observed residues (ATOM records): (download) 
    >5raaB (B:)
mtshswlcdgrllclhdpsnknnwkifrecwkqgqpvlvsgvhkklkselwkpeafsqef
gdqdvdlvncrncaiisdvkvrdfwdgfeiickrlrsedgqpmvlklkdwppgedfrdmm
ptrfedlmenlplpeytkrdgrlnlasrlpsyfvrpdlgpkmynayglitaedrrvgttn
lhldvsdavnvmvyvgipiahdeevlktidegdadevtkerihdhkekpgalwhiyaakd
aekirellrkvgeeqgqenppdhdpihdqswyldqtlrkrlyeeygvqgwaivqflgdav
fipagaphqvhnlyscikvaedfvspehvkhcfrltqefrhlsn