PDB entry 4feu

View 4feu on RCSB PDB site
Description: Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor anthrapyrazolone SP600125
Class: transferase/transferase inhibitor
Keywords: anthrapyrazolone, SP600125, 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: 2.37 Å
R-factor: 0.163
AEROSPACI score: 0.38 (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: d4feua_
  • 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: d4feub_
  • 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: d4feuc_
  • 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: d4feud_
  • 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: d4feue_
  • 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: d4feuf_
  • Heterogens: KAN, 537, ACT, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4feuA (A:)
ldadlygyrwardnvgqsgatiyrlygkpnapelflkhgkgsvandvtdemvrlnwltaf
mplptikhfirtpddawllttaipgktafqvleeypdsgenivdalavflrrlhsipvcn
cpfnsdrvfrlaqaqsrmnnglvdasdfdderngwpveqvwkemhkllpfspdsvvthgd
fsldnlifdegkligcidvgrvgiadryqdlailwnclgefspslqkrlfqkygidnpdm
nklqfhlmldeff

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4feuB (B:)
shiqretscsrprladlygyrwardnvsgatiyrlygkpnapelflkhgkgsvandvtde
mvrlnwltafmplptikhfirtpddawllttaipgktafqvleeypdsgenivdalavfl
rrlhsipvcncpfnsdrvfrlaqaqsrmnnglvdasdfdderngwpveqvwkemhkllpf
spdsvvthgdfsldnlifdegkligcidvgrvgiadryqdlailwnclgefspslqkrlf
qkygidnpdmnklqfhlmldeff

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4feuC (C:)
qretscsrpldadlygyrwardnvgqsgatiyrlygkpnapelflkhgkgsvandvtdem
vrlnwltafmplptikhfirtpddawllttaipgktafqvleeypdsgenivdalavflr
rlhsipvcncpfnsdrvfrlaqaqsrmnnglvdasdfdderngwpveqvwkemhkllpfs
pdsvvthgdfsldnlifdegkligcidvgrvgiadryqdlailwnclgefspslqkrlfq
kygidnpdmnklqfhlmldeff

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4feuD (D:)
gyrwardgatiyrlygkpnapelflkhgkgsvandvtdemvrlnwltafmplptikhfir
tpddawllttaipgktafqvleeypdsgenivdalavflrrlhsipvcncpfnsdrvfrl
aqaqsrmnnglvdasdfdderngwpveqvwkemhkllpfspdsvvthgdfsldnlifdeg
kligcidvgrvgiadryqdlailwnclgefspslqkrlfqkygidnpdmnklqfhlmlde
ff

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4feuE (E:)
retscsrprlnldadlygyrwardnvgqsgatiyrlygkpnapelflkhgkgsvandvtd
emvrlnwltafmplptikhfirtpddawllttaipgktafqvleeypdsgenivdalavf
lrrlhsipvcncpfnsdrvfrlaqaqsrmnnglvdasdfdderngwpveqvwkemhkllp
fspdsvvthgdfsldnlifdegkligcidvgrvgiadryqdlailwnclgefspslqkrl
fqkygidnpdmnklqfhlmldeff

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4feuF (F:)
adlygyrwardgatiyrlygkpnpelflkhgkgsvandvtdemvrlnwltafmplptikh
firtpddawllttaipgktafqvleeypdsgenivdalavflrrlhsipvcncpfnsdrv
frlaqaqsrmnnglvdasdfdderngwpveqvwkemhkllpfspdsvvthgdfsldnlif
degkligcidvgrvgiadryqdlailwnclgefspslqkrlfqkygidnpdmnklqfhlm
ldeff