PDB entry 3u17

View 3u17 on RCSB PDB site
Description: Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-(p-benzoyl)phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Class: ligase
Keywords: ANL Superfamily, adenylating enzyme, 2, 3-dihydroxybenzoate:Aryl Carrier protein ligase, BasF, LIGASE
Deposited on 2011-09-29, released 2012-10-03
The last revision prior to the SCOPe 2.08 freeze date was dated 2020-05-13, with a file datestamp of 2020-05-08.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: N/A
AEROSPACI score: 0.29 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Peptide arylation enzyme
    Species: Acinetobacter baumannii [TaxId:405416]
    Gene: ACICU_02578, basE
    Database cross-references and differences (RAF-indexed):
    • Uniprot B2HVG8
      • see remark 999 (46)
      • see remark 999 (69)
      • see remark 999 (150)
      • see remark 999 (181)
      • see remark 999 (227)
      • see remark 999 (330)
      • see remark 999 (379)
    Domains in SCOPe 2.08: d3u17a_
  • Chain 'B':
    Compound: Peptide arylation enzyme
    Species: Acinetobacter baumannii [TaxId:405416]
    Gene: ACICU_02578, basE
    Database cross-references and differences (RAF-indexed):
    • Uniprot B2HVG8
      • see remark 999 (46)
      • see remark 999 (69)
      • see remark 999 (150)
      • see remark 999 (181)
      • see remark 999 (227)
      • see remark 999 (330)
      • see remark 999 (379)
    Domains in SCOPe 2.08: d3u17b_
  • Heterogens: H90, CA, MPD, MRD, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3u17A (A:)
ghmkkqliefvrwsperaqhyrnkgywidqpltriltvgvqshphslaiicgerqlsyie
ldrlstnlatrlaekglgkgdtalvqlpnvaefyivffallkagvvvlnalyshrqyeln
afikqiqpklligsrqhevfsnnqfidslhdvnlspeiilmlnhqatdfglldwietpae
tfvdfsstpadevaffqlsggstgtpkliprthndydysvrasaeicglnsntrllcalp
aphnfmlsspgalgvlhaggcvvmapnpeplncfsiiqrhqvnmaslvpsavimwlekaa
qykdqiqslkllqvggasfpeslarqvpevlncklqqvfgmaeglvnytrlddsdeqift
tqgrpissddeikivdeqyrevpegeigmlatrgpytfcgyyqspehnsqvfdednyyys
gdlvqrtpdgnlrvvgrikdqinrggekiaseeieklillhpevmhaalvaivdeqfgek
scafivsrnpelkavvlrrhlmelgiaqyklpdqiklieslpltavgkvdkkqlrsilnt
stts

    Sequence, based on observed residues (ATOM records): (download) 
    >3u17A (A:)
kqliefvrwsperaqhyrnkgywidqpltriltvgvqshphslaiicgerqlsyieldrl
stnlatrlaekglgkgdtalvqlpnvaefyivffallkagvvvlnalyshrqyelnafik
qiqpklligsrqhevfsnnqfidslhdvnlspeiilmlnhqatdfglldwietpaetfvd
fsstpadevaffqlsgtgtpkliprthndydysvrasaeicglnsntrllcalpaphnfm
lsspgalgvlhaggcvvmapnpeplncfsiiqrhqvnmaslvpsavimwlekaaqykdqi
qslkllqvggasfpeslarqvpevlncklqqvfgmaeglvnytrlddsdeqifttqgrpi
ssddeikivdeqyrevpegeigmlatrgpytfcgyyqspehnsqvfdednyyysgdlvqr
tpdgnlrvvgrik

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3u17B (B:)
ghmkkqliefvrwsperaqhyrnkgywidqpltriltvgvqshphslaiicgerqlsyie
ldrlstnlatrlaekglgkgdtalvqlpnvaefyivffallkagvvvlnalyshrqyeln
afikqiqpklligsrqhevfsnnqfidslhdvnlspeiilmlnhqatdfglldwietpae
tfvdfsstpadevaffqlsggstgtpkliprthndydysvrasaeicglnsntrllcalp
aphnfmlsspgalgvlhaggcvvmapnpeplncfsiiqrhqvnmaslvpsavimwlekaa
qykdqiqslkllqvggasfpeslarqvpevlncklqqvfgmaeglvnytrlddsdeqift
tqgrpissddeikivdeqyrevpegeigmlatrgpytfcgyyqspehnsqvfdednyyys
gdlvqrtpdgnlrvvgrikdqinrggekiaseeieklillhpevmhaalvaivdeqfgek
scafivsrnpelkavvlrrhlmelgiaqyklpdqiklieslpltavgkvdkkqlrsilnt
stts

    Sequence, based on observed residues (ATOM records): (download) 
    >3u17B (B:)
kqliefvrwsperaqhyrnkgywidqpltriltvgvqshphslaiicgerqlsyieldrl
stnlatrlaekglgkgdtalvqlpnvaefyivffallkagvvvlnalyshrqyelnafik
qiqpklligsrqhevfsnnqfidslhdvnlspeiilmlnhqatdfglldwietpaetfvd
fsstpadevaffqlsggstgtpkliprthndydysvrasaeicglnsntrllcalpaphn
fmlsspgalgvlhaggcvvmapnpeplncfsiiqrhqvnmaslvpsavimwlekaaqykd
qiqslkllqvggasfpeslarqvpevlncklqqvfgmaeglvnytrlddsdeqifttqgr
pissddeikivdeqyrevpegeigmlatrgpytfcgyyqspehnsqvfdednyyysgdlv
qrtpdgnlrvvgrikd