PDB entry 4fev

View 4fev on RCSB PDB site
Description: Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor pyrazolopyrimidine PP1
Class: transferase/transferase inhibitor
Keywords: pyrazolopyrimidine, PP1, 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 2.08 freeze date was dated 2013-09-04, with a file datestamp of 2013-08-30.
Experiment type: XRAY
Resolution: 1.89 Å
R-factor: 0.154
AEROSPACI score: 0.52 (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 2.08: d4feva_
  • 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 2.08: d4fevb_
  • 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 2.08: d4fevc_
  • 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 2.08: d4fevd_
  • 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 2.08: d4feve_
  • 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 2.08: d4fevf_
  • Heterogens: KAN, PP1, NA, ACT, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4fevA (A:)
qretscsrpnldadlygyrwardnvgqsgatiyrlygkpnapelflkhgkgsvandvtde
mvrlnwltafmplptikhfirtpddawllttaipgktafqvleeypdsgenivdalavfl
rrlhsipvcncpfnsdrvfrlaqaqsrmnnglvdasdfdderngwpveqvwkemhkllpf
spdsvvthgdfsldnlifdegkligcidvgrvgiadryqdlailwnclgefspslqkrlf
qkygidnpdmnklqfhlmldeff

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4fevB (B:)
iqretscsrprgyrwardngatiyrlygkpnapelflkhgkgsvandvtdemvrlnwlta
fmplptikhfirtpddawllttaipgktafqvleeypdsgenivdalavflrrlhsipvc
ncpfnsdrvfrlaqaqsrmnnglvdasdfdderngwpveqvwkemhkllpfspdsvvthg
dfsldnlifdegkligcidvgrvgiadryqdlailwnclgefspslqkrlfqkygidnpd
mnklqfhlmldeff

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

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

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4fevD (D:)
mshiqretscsrprlnsnldadlygyrwardnvgqsgatiyrlygkpnapelflkhgkgs
vandvtdemvrlnwltafmplptikhfirtpddawllttaipgktafqvleeypdsgeni
vdalavflrrlhsipvcncpfnsdrvfrlaqaqsrmnnglvdasdfdderngwpveqvwk
emhkllpfspdsvvthgdfsldnlifdegkligcidvgrvgiadryqdlailwnclgefs
pslqkrlfqkygidnpdmnklqfhlmldeff

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4fevE (E:)
shiqretscsrprlnldadlygyrwardnvgqsgatiyrlygkpnapelflkhgkgsvan
dvtdemvrlnwltafmplptikhfirtpddawllttaipgktafqvleeypdsgenivda
lavflrrlhsipvcncpfnsdrvfrlaqaqsrmnnglvdasdfdderngwpveqvwkemh
kllpfspdsvvthgdfsldnlifdegkligcidvgrvgiadryqdlailwnclgefspsl
qkrlfqkygidnpdmnklqfhlmldeff

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4fevF (F:)
nsnldadlygyrwardsgatiyrlygkpnapelflkhgkgsvandvtdemvrlnwltafm
plptikhfirtpddawllttaipgktafqvleeypdsgenivdalavflrrlhsipvcnc
pfnsdrvfrlaqaqsrmnnglvdasdfdderngwpveqvwkemhkllpfspdsvvthgdf
sldnlifdegkligcidvgrvgiadryqdlailwnclgefspslqkrlfqkygidnpdmn
klqfhlmldeff