PDB entry 3o83

View 3o83 on RCSB PDB site
Description: Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 2-(4-n-dodecyl-1,2,3-triazol-1-yl)-5'-O-[N-(2-hydroxybenzoyl)sulfamoyl]adenosine
Class: ligase
Keywords: Ligase, Adenylation of 2,3-dihydroxybenzoate and transfer to pantetheine cofactor of BasF, Non-Ribosomal Peptide Synthetase (NRPS)
Deposited on 2010-08-02, released 2010-10-06
The last revision prior to the SCOPe 2.01 freeze date was dated 2010-11-10, with a file datestamp of 2010-11-05.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: 0.195
AEROSPACI score: 0.48 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Peptide arylation enzyme
    Species: Acinetobacter baumannii [TaxId:557601]
    Gene: ACICU_02578, basE
    Database cross-references and differences (RAF-indexed):
    • Uniprot B2HVG8
      • engineered mutation (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 2.01: d3o83a_
  • Chain 'B':
    Compound: Peptide arylation enzyme
    Species: Acinetobacter baumannii [TaxId:557601]
    Gene: ACICU_02578, basE
    Database cross-references and differences (RAF-indexed):
    • Uniprot B2HVG8
      • engineered mutation (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 2.01: d3o83b_
  • Heterogens: IXN, CA, MPD, MRD, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3o83A (A:)
ghmkkqliefvrwsperaqhyrnkgywidqpltriltvgvqshphslaiicgerqlsyie
ldrlstnlatrlaekglgkgdtalvqlpnvaefyivffallkagvvvlnalyshrqyeln
afikqiqpklligsrqhevfsnnqfidslhdvnlspeiilmlnhqatdfglldwietpae
tfvdfsstpadevaffqlsggstgtpkliprthndydysvrasaeicglnsntrllcalp
aphnfmlsspgalgvlhaggcvvmapnpeplncfsiiqrhqvnmaslvpsavimwlekaa
qykdqiqslkllqvggasfpeslarqvpevlncklqqvfgmaeglvnytrlddsdeqift
tqgrpissddeikivdeqyrevpegeigmlatrgpytfcgyyqspehnsqvfdednyyys
gdlvqrtpdgnlrvvgrikdqinrggekiaseeieklillhpevmhaalvaivdeqfgek
scafivsrnpelkavvlrrhlmelgiaqyklpdqiklieslpltavgkvdkkqlrsilnt
stts

    Sequence, based on observed residues (ATOM records): (download) 
    >3o83A (A:)
kqliefvrwsperaqhyrnkgywidqpltriltvgvqshphslaiicgerqlsyieldrl
stnlatrlaekglgkgdtalvqlpnvaefyivffallkagvvvlnalyshrqyelnafik
qiqpklligsrqhevfsnnqfidslhdvnlspeiilmlnhqatdfglldwietpaetfvd
fsstpadevaffqlsgggtpkliprthndydysvrasaeicglnsntrllcalpaphnfm
lsspgalgvlhaggcvvmapnpeplncfsiiqrhqvnmaslvpsavimwlekaaqykdqi
qslkllqvggasfpeslarqvpevlncklqqvfgmaeglvnytrlddsdeqifttqgrpi
ssddeikivdeqyrevpegeigmlatrgpytfcgyyqspehnsqvfdednyyysgdlvqr
tpdgnlrvvgrik

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3o83B (B:)
ghmkkqliefvrwsperaqhyrnkgywidqpltriltvgvqshphslaiicgerqlsyie
ldrlstnlatrlaekglgkgdtalvqlpnvaefyivffallkagvvvlnalyshrqyeln
afikqiqpklligsrqhevfsnnqfidslhdvnlspeiilmlnhqatdfglldwietpae
tfvdfsstpadevaffqlsggstgtpkliprthndydysvrasaeicglnsntrllcalp
aphnfmlsspgalgvlhaggcvvmapnpeplncfsiiqrhqvnmaslvpsavimwlekaa
qykdqiqslkllqvggasfpeslarqvpevlncklqqvfgmaeglvnytrlddsdeqift
tqgrpissddeikivdeqyrevpegeigmlatrgpytfcgyyqspehnsqvfdednyyys
gdlvqrtpdgnlrvvgrikdqinrggekiaseeieklillhpevmhaalvaivdeqfgek
scafivsrnpelkavvlrrhlmelgiaqyklpdqiklieslpltavgkvdkkqlrsilnt
stts

    Sequence, based on observed residues (ATOM records): (download) 
    >3o83B (B:)
kqliefvrwsperaqhyrnkgywidqpltriltvgvqshphslaiicgerqlsyieldrl
stnlatrlaekglgkgdtalvqlpnvaefyivffallkagvvvlnalyshrqyelnafik
qiqpklligsrqhevfsnnqfidslhdvnlspeiilmlnhqatdfglldwietpaetfvd
fsstpadevaffqlsggstgtpkliprthndydysvrasaeicglnsntrllcalpaphn
fmlsspgalgvlhaggcvvmapnpeplncfsiiqrhqvnmaslvpsavimwlekaaqykd
qiqslkllqvggasfpeslarqvpevlncklqqvfgmaeglvnytrlddsdeqifttqgr
pissddeikivdeqyrevpegeigmlatrgpytfcgyyqspehnsqvfdednyyysgdlv
qrtpdgnlrvvgrikd