PDB entry 4few

View 4few on RCSB PDB site
Description: Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor pyrazolopyrimidine PP2
Class: transferase/transferase inhibitor
Keywords: pyrazolopyrimidine, PP2, protein kinase inhibitor, CENTER FOR STRUCTURAL GENOMICS OF INFECTIOUS DISEASES, CSGID, NIAID, NATIONAL INSTITUTE OF ALLERGY AND INFECTIOUS DISEASES, EUKARYOTIC PROTEIN KINASE-LIKE FOLD, ALPHA/BETA PROTEIN, TRANSFERASE, PHOSPHOTRANSFERASE, AMINOGLYCOSIDE PHOSPHOTRANSFERASE, ANTIBIOTIC RESISTANCE, AMINOGLYCOSIDES, KANAMYCIN, GTP, INTRACELLULAR, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2012-05-30, released 2012-06-20
The last revision prior to the SCOPe 2.05 freeze date was dated 2013-09-04, with a file datestamp of 2013-08-30.
Experiment type: XRAY
Resolution: 1.98 Å
R-factor: 0.16
AEROSPACI score: 0.49 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Aminoglycoside 3'-phosphotransferase AphA1-IAB
    Species: ACINETOBACTER BAUMANNII [TaxId:509173]
    Gene: ABAYE3578, AphA1-IAB
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4fewa_
  • Chain 'B':
    Compound: Aminoglycoside 3'-phosphotransferase AphA1-IAB
    Species: ACINETOBACTER BAUMANNII [TaxId:509173]
    Gene: ABAYE3578, AphA1-IAB
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4fewb_
  • Chain 'C':
    Compound: Aminoglycoside 3'-phosphotransferase AphA1-IAB
    Species: ACINETOBACTER BAUMANNII [TaxId:509173]
    Gene: ABAYE3578, AphA1-IAB
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4fewc_
  • Chain 'D':
    Compound: Aminoglycoside 3'-phosphotransferase AphA1-IAB
    Species: ACINETOBACTER BAUMANNII [TaxId:509173]
    Gene: ABAYE3578, AphA1-IAB
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4fewd_
  • Chain 'E':
    Compound: Aminoglycoside 3'-phosphotransferase AphA1-IAB
    Species: ACINETOBACTER BAUMANNII [TaxId:509173]
    Gene: ABAYE3578, AphA1-IAB
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4fewe_
  • Chain 'F':
    Compound: Aminoglycoside 3'-phosphotransferase AphA1-IAB
    Species: ACINETOBACTER BAUMANNII [TaxId:509173]
    Gene: ABAYE3578, AphA1-IAB
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4fewf_
  • Heterogens: KAN, PP2, NA, CL, ACT, PEG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4fewA (A:)
gmshiqretscsrprlnsnldadlygyrwardnvgqsgatiyrlygkpnapelflkhgkg
svandvtdemvrlnwltafmplptikhfirtpddawllttaipgktafqvleeypdsgen
ivdalavflrrlhsipvcncpfnsdrvfrlaqaqsrmnnglvdasdfdderngwpveqvw
kemhkllpfspdsvvthgdfsldnlifdegkligcidvgrvgiadryqdlailwnclgef
spslqkrlfqkygidnpdmnklqfhlmldeff

    Sequence, based on observed residues (ATOM records): (download) 
    >4fewA (A:)
retscsrprlnsnldadlygyrwardnvgqsgatiyrlygkpnapelflkhgkgsvandv
tdemvrlnwltafmplptikhfirtpddawllttaipgktafqvleeypdsgenivdala
vflrrlhsipvcncpfnsdrvfrlaqaqsrmnnglvdasdfdderngwpveqvwkemhkl
lpfspdsvvthgdfsldnlifdegkligcidvgrvgiadryqdlailwnclgefspslqk
rlfqkygidnpdmnklqfhlmldeff

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4fewB (B:)
gmshiqretscsrprlnsnldadlygyrwardnvgqsgatiyrlygkpnapelflkhgkg
svandvtdemvrlnwltafmplptikhfirtpddawllttaipgktafqvleeypdsgen
ivdalavflrrlhsipvcncpfnsdrvfrlaqaqsrmnnglvdasdfdderngwpveqvw
kemhkllpfspdsvvthgdfsldnlifdegkligcidvgrvgiadryqdlailwnclgef
spslqkrlfqkygidnpdmnklqfhlmldeff

    Sequence, based on observed residues (ATOM records): (download) 
    >4fewB (B:)
qretscsrprllygyrwardngatiyrlygkpnapelflkhgkgsvandvtdemvrlnwl
tafmplptikhfirtpddawllttaipgktafqvleeypdsgenivdalavflrrlhsip
vcncpfnsdrvfrlaqaqsrmnnglvdasdfdderngwpveqvwkemhkllpfspdsvvt
hgdfsldnlifdegkligcidvgrvgiadryqdlailwnclgefspslqkrlfqkygidn
pdmnklqfhlmldeff

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4fewC (C:)
gmshiqretscsrprlnsnldadlygyrwardnvgqsgatiyrlygkpnapelflkhgkg
svandvtdemvrlnwltafmplptikhfirtpddawllttaipgktafqvleeypdsgen
ivdalavflrrlhsipvcncpfnsdrvfrlaqaqsrmnnglvdasdfdderngwpveqvw
kemhkllpfspdsvvthgdfsldnlifdegkligcidvgrvgiadryqdlailwnclgef
spslqkrlfqkygidnpdmnklqfhlmldeff

    Sequence, based on observed residues (ATOM records): (download) 
    >4fewC (C:)
nldadlygyrwardnvgqsgatiyrlygkpnapelflkhgkgsvandvtdemvrlnwlta
fmplptikhfirtpddawllttaipgktafqvleeypdsgenivdalavflrrlhsipvc
ncpfnsdrvfrlaqaqsrmnnglvdasdfdderngwpveqvwkemhkllpfspdsvvthg
dfsldnlifdegkligcidvgrvgiadryqdlailwnclgefspslqkrlfqkygidnpd
mnklqfhlmldeff

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >4fewD (D:)
gmshiqretscsrprlnsnldadlygyrwardnvgqsgatiyrlygkpnapelflkhgkg
svandvtdemvrlnwltafmplptikhfirtpddawllttaipgktafqvleeypdsgen
ivdalavflrrlhsipvcncpfnsdrvfrlaqaqsrmnnglvdasdfdderngwpveqvw
kemhkllpfspdsvvthgdfsldnlifdegkligcidvgrvgiadryqdlailwnclgef
spslqkrlfqkygidnpdmnklqfhlmldeff

    Sequence, based on observed residues (ATOM records): (download) 
    >4fewD (D:)
mshiqretscsrprdadlygyrwardnvgqsgatiyrlygkpnapelflkhgkgsvandv
tdemvrlnwltafmplptikhfirtpddawllttaipgktafqvleeypdsgenivdala
vflrrlhsipvcncpfnsdrvfrlaqaqsrmnnglvdasdfdderngwpveqvwkemhkl
lpfspdsvvthgdfsldnlifdegkligcidvgrvgiadryqdlailwnclgefspslqk
rlfqkygidnpdmnklqfhlmldeff

  • Chain 'E':
    Sequence, based on SEQRES records: (download) 
    >4fewE (E:)
gmshiqretscsrprlnsnldadlygyrwardnvgqsgatiyrlygkpnapelflkhgkg
svandvtdemvrlnwltafmplptikhfirtpddawllttaipgktafqvleeypdsgen
ivdalavflrrlhsipvcncpfnsdrvfrlaqaqsrmnnglvdasdfdderngwpveqvw
kemhkllpfspdsvvthgdfsldnlifdegkligcidvgrvgiadryqdlailwnclgef
spslqkrlfqkygidnpdmnklqfhlmldeff

    Sequence, based on observed residues (ATOM records): (download) 
    >4fewE (E:)
nldadlygyrwardnvgqsgatiyrlygkpnapelflkhgkgsvandvtdemvrlnwlta
fmplptikhfirtpddawllttaipgktafqvleeypdsgenivdalavflrrlhsipvc
ncpfnsdrvfrlaqaqsrmnnglvdasdfdderngwpveqvwkemhkllpfspdsvvthg
dfsldnlifdegkligcidvgrvgiadryqdlailwnclgefspslqkrlfqkygidnpd
mnklqfhlmldeff

  • Chain 'F':
    Sequence, based on SEQRES records: (download) 
    >4fewF (F:)
gmshiqretscsrprlnsnldadlygyrwardnvgqsgatiyrlygkpnapelflkhgkg
svandvtdemvrlnwltafmplptikhfirtpddawllttaipgktafqvleeypdsgen
ivdalavflrrlhsipvcncpfnsdrvfrlaqaqsrmnnglvdasdfdderngwpveqvw
kemhkllpfspdsvvthgdfsldnlifdegkligcidvgrvgiadryqdlailwnclgef
spslqkrlfqkygidnpdmnklqfhlmldeff

    Sequence, based on observed residues (ATOM records): (download) 
    >4fewF (F:)
mshiqretscsrprladlygyrwardnvgqsgatiyrlygkpnapelflkhgkgsvandv
tdemvrlnwltafmplptikhfirtpddawllttaipgktafqvleeypdsgenivdala
vflrrlhsipvcncpfnsdrvfrlaqaqsrmnnglvdasdfdderngwpveqvwkemhkl
lpfspdsvvthgdfsldnlifdegkligcidvgrvgiadryqdlailwnclgefspslqk
rlfqkygidnpdmnklqfhlmldeff