PDB entry 3vll

View 3vll on RCSB PDB site
Description: Crystal Structure Analysis of the Ser305Ala variant of KatG from HALOARCULA MARISMORTUI Complexes with Inhibitor SHA
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: CATALASE-PEROXIDASE, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2011-12-01, released 2012-12-05
The last revision prior to the SCOPe 2.03 freeze date was dated 2012-12-05, with a file datestamp of 2012-11-30.
Experiment type: XRAY
Resolution: 2 Å
R-factor: 0.247
AEROSPACI score: 0.39 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Catalase-peroxidase 2
    Species: Haloarcula marismortui [TaxId:272569]
    Gene: katG2
    Database cross-references and differences (RAF-indexed):
    • Uniprot O59651 (Start-730)
      • engineered mutation (304)
    Domains in SCOPe 2.03: d3vlla1, d3vlla2
  • Chain 'B':
    Compound: Catalase-peroxidase 2
    Species: Haloarcula marismortui [TaxId:272569]
    Gene: katG2
    Database cross-references and differences (RAF-indexed):
    • Uniprot O59651 (Start-730)
      • engineered mutation (304)
    Domains in SCOPe 2.03: d3vllb1, d3vllb2
  • Heterogens: HEM, SHA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3vllA (A:)
maetpnsdmsgatggrskrpksnqdwwpsklnleildqnardvgpveddfdyaeefqkld
leavksdleelmtssqdwwpadyghygplfirmawhsagtyrtadgrggaaggrqrfapi
nswpdnanldkarrlllpikqkygqkiswadlmilagnvaiesmgfktfgyaggredafe
edkavnwgpedefetqerfdepgeiqeglgasvmgliyvnpegpdgnpdpeasaknirqt
fdrmamndketaaliagghtfgkvhgaddpeenlgpepeaapieqqglgwqnkngnskgg
emitagiegpwtqsptewdmgyinnlldyewepekgpggawqwapkseelknsvpdahdp
dekqtpmmlttdialkrdpdyrevmetfqenpmefgmnfakawyklthrdmgpperflgp
evpdeemiwqdplpdadydligdeeiaelkeeildsdlsvsqlvktawasastyrdsdkr
ggangarlrlepqknwevnepeqletvlgtleniqtefndsrsdgtqvsladlivlggna
aveqaaanagydveipfepgrvdagpehtdapsfdalkpkvdgvrnyiqdditrpaeevl
vdnadllnltaseltaliggmrsiganyqdtdlgvftdepetltndffvnlldmgtewep
aadsehrykgldrdtgevkweatridlifgsndrlraisevygsadaekklvhdfvdtws
kvmkldrfdlehhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >3vllA (A:)
krpksnqdwwpsklnleildqnardvgpveddfdyaeefqkldleavksdleelmtssqd
wwpadyghygplfirmawhsagtyrtadgrggaaggrqrfapinswpdnanldkarrlll
pikqkygqkiswadlmilagnvaiesmgfktfgyaggredafeedkavnwgpedefetqe
rfdepgeiqeglgasvmgliyvnpegpdgnpdpeasaknirqtfdrmamndketaaliag
ghtfgkvhgaddpeenlgpepeaapieqqglgwqitagiegpwtqsptewdmgyinnlld
yewepekgpggawqwapkseelknsvpdahdpdekqtpmmlttdialkrdpdyrevmetf
qenpmefgmnfakawyklthrdmgpperflgpevpdeemiwqdplpdadydligdeeiae
lkeeildsdlsvsqlvktawasastyrdsdkrggangarlrlepqknwevnepeqletvl
gtleniqtefndsrsdgtqvsladlivlggnaaveqaaanagydveipfepgrvdagpeh
tdapsfdalkpkvdgvrnyiqdditrpaeevlvdnadllnltaseltaliggmrsigany
qdtdlgvftdepetltndffvnlldmgtewepaadsehrykgldrdtgevkweatridli
fgsndrlraisevygsadaekklvhdfvdtwskvmkldrfdle

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3vllB (B:)
maetpnsdmsgatggrskrpksnqdwwpsklnleildqnardvgpveddfdyaeefqkld
leavksdleelmtssqdwwpadyghygplfirmawhsagtyrtadgrggaaggrqrfapi
nswpdnanldkarrlllpikqkygqkiswadlmilagnvaiesmgfktfgyaggredafe
edkavnwgpedefetqerfdepgeiqeglgasvmgliyvnpegpdgnpdpeasaknirqt
fdrmamndketaaliagghtfgkvhgaddpeenlgpepeaapieqqglgwqnkngnskgg
emitagiegpwtqsptewdmgyinnlldyewepekgpggawqwapkseelknsvpdahdp
dekqtpmmlttdialkrdpdyrevmetfqenpmefgmnfakawyklthrdmgpperflgp
evpdeemiwqdplpdadydligdeeiaelkeeildsdlsvsqlvktawasastyrdsdkr
ggangarlrlepqknwevnepeqletvlgtleniqtefndsrsdgtqvsladlivlggna
aveqaaanagydveipfepgrvdagpehtdapsfdalkpkvdgvrnyiqdditrpaeevl
vdnadllnltaseltaliggmrsiganyqdtdlgvftdepetltndffvnlldmgtewep
aadsehrykgldrdtgevkweatridlifgsndrlraisevygsadaekklvhdfvdtws
kvmkldrfdlehhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >3vllB (B:)
krpksnqdwwpsklnleildqnardvgpveddfdyaeefqkldleavksdleelmtssqd
wwpadyghygplfirmawhsagtyrtadgrggaaggrqrfapinswpdnanldkarrlll
pikqkygqkiswadlmilagnvaiesmgfktfgyaggredafeedkavnwgpedefetqe
rfdepgeiqeglgasvmgliyvnpegpdgnpdpeasaknirqtfdrmamndketaaliag
ghtfgkvhgaddpeenlgpepeaapieqqglgwqnkngnskggemitagiegpwtqspte
wdmgyinnlldyewepekgpggawqwapkseelknsvpdahdpdekqtpmmlttdialkr
dpdyrevmetfqenpmefgmnfakawyklthrdmgpperflgpevpdeemiwqdplpdad
ydligdeeiaelkeeildsdlsvsqlvktawasastyrdsdkrggangarlrlepqknwe
vnepeqletvlgtleniqtefndsrsdgtqvsladlivlggnaaveqaaanagydveipf
epgrvdagpehtdapsfdalkpkvdgvrnyiqdditrpaeevlvdnadllnltaseltal
iggmrsiganyqdtdlgvftdepetltndffvnlldmgtewepahrykgldrdtgevkwe
atridlifgsndrlraisevygsadaekklvhdfvdtwskvmkldrfdle