PDB entry 3u16

View 3u16 on RCSB PDB site
Description: Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-(p-benzyloxy)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 2.04 freeze date was dated 2012-10-03, with a file datestamp of 2012-09-28.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: 0.187
AEROSPACI score: 0.43 (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 2.04: d3u16a_
  • 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 2.04: d3u16b_
  • Heterogens: H89, CA, MPD, MRD, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3u16A (A:)
ghmkkqliefvrwsperaqhyrnkgywidqpltriltvgvqshphslaiicgerqlsyie
ldrlstnlatrlaekglgkgdtalvqlpnvaefyivffallkagvvvlnalyshrqyeln
afikqiqpklligsrqhevfsnnqfidslhdvnlspeiilmlnhqatdfglldwietpae
tfvdfsstpadevaffqlsggstgtpkliprthndydysvrasaeicglnsntrllcalp
aphnfmlsspgalgvlhaggcvvmapnpeplncfsiiqrhqvnmaslvpsavimwlekaa
qykdqiqslkllqvggasfpeslarqvpevlncklqqvfgmaeglvnytrlddsdeqift
tqgrpissddeikivdeqyrevpegeigmlatrgpytfcgyyqspehnsqvfdednyyys
gdlvqrtpdgnlrvvgrikdqinrggekiaseeieklillhpevmhaalvaivdeqfgek
scafivsrnpelkavvlrrhlmelgiaqyklpdqiklieslpltavgkvdkkqlrsilnt
stts

    Sequence, based on observed residues (ATOM records): (download) 
    >3u16A (A:)
kqliefvrwsperaqhyrnkgywidqpltriltvgvqshphslaiicgerqlsyieldrl
stnlatrlaekglgkgdtalvqlpnvaefyivffallkagvvvlnalyshrqyelnafik
qiqpklligsrqhevfsnnqfidslhdvnlspeiilmlnhqatdfglldwietpaetfvd
fsstpadevaffqlsgtgtpkliprthndydysvrasaeicglnsntrllcalpaphnfm
lsspgalgvlhaggcvvmapnpeplncfsiiqrhqvnmaslvpsavimwlekaaqykdqi
qslkllqvggasfpeslarqvpevlncklqqvfgmaeglvnytrlddsdeqifttqgrpi
ssddeikivdeqyrevpegeigmlatrgpytfcgyyqspehnsqvfdednyyysgdlvqr
tpdgnlrvvgrik

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3u16B (B:)
ghmkkqliefvrwsperaqhyrnkgywidqpltriltvgvqshphslaiicgerqlsyie
ldrlstnlatrlaekglgkgdtalvqlpnvaefyivffallkagvvvlnalyshrqyeln
afikqiqpklligsrqhevfsnnqfidslhdvnlspeiilmlnhqatdfglldwietpae
tfvdfsstpadevaffqlsggstgtpkliprthndydysvrasaeicglnsntrllcalp
aphnfmlsspgalgvlhaggcvvmapnpeplncfsiiqrhqvnmaslvpsavimwlekaa
qykdqiqslkllqvggasfpeslarqvpevlncklqqvfgmaeglvnytrlddsdeqift
tqgrpissddeikivdeqyrevpegeigmlatrgpytfcgyyqspehnsqvfdednyyys
gdlvqrtpdgnlrvvgrikdqinrggekiaseeieklillhpevmhaalvaivdeqfgek
scafivsrnpelkavvlrrhlmelgiaqyklpdqiklieslpltavgkvdkkqlrsilnt
stts

    Sequence, based on observed residues (ATOM records): (download) 
    >3u16B (B:)
kqliefvrwsperaqhyrnkgywidqpltriltvgvqshphslaiicgerqlsyieldrl
stnlatrlaekglgkgdtalvqlpnvaefyivffallkagvvvlnalyshrqyelnafik
qiqpklligsrqhevfsnnqfidslhdvnlspeiilmlnhqatdfglldwietpaetfvd
fsstpadevaffqlsggstgtpkliprthndydysvrasaeicglnsntrllcalpaphn
fmlsspgalgvlhaggcvvmapnpeplncfsiiqrhqvnmaslvpsavimwlekaaqykd
qiqslkllqvggasfpeslarqvpevlncklqqvfgmaeglvnytrlddsdeqifttqgr
pissddeikivdeqyrevpegeigmlatrgpytfcgyyqspehnsqvfdednyyysgdlv
qrtpdgnlrvvgrikdq