PDB entry 4gki

View 4gki on RCSB PDB site
Description: Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor 1-NM-PP1
Class: transferase/transferase inhibitor
Keywords: pyrazolopyrimidine, 1-nm-pp1, bumped kinase inhibitor, bki, protein kinase inhibitor, center for structural genomics of infectious diseases, csgid, niaid, national institute of allergy and infectious diseases, transferase-transferase inhibitor complex, eukaryotic protein kinase-like fold, alpha/beta protein, transferase, phosphotransferase, aminoglycoside phosphotransferase, antibiotic resistance, aminoglycosides, kanamycin, GTP, intracellular
Deposited on 2012-08-11, released 2012-09-05
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: 1.88 Å
R-factor: 0.168
AEROSPACI score: 0.51 (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):
    • Uniprot B0VD92 (1-271)
      • expression tag (0)
    Domains in SCOPe 2.05: d4gkia_
  • 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: d4gkib_
  • Chain 'C':
    Compound: Aminoglycoside 3'-phosphotransferase AphA1-IAB
    Species: ACINETOBACTER BAUMANNII [TaxId:509173]
    Gene: ABAYE3578, AphA1-IAB
    Database cross-references and differences (RAF-indexed):
    • Uniprot B0VD92 (1-271)
      • expression tag (0)
    Domains in SCOPe 2.05: d4gkic_
  • 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: d4gkid_
  • 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: d4gkie_
  • 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: d4gkif_
  • Chain 'G':
    Compound: Aminoglycoside 3'-phosphotransferase AphA1-IAB
    Species: ACINETOBACTER BAUMANNII [TaxId:509173]
    Gene: ABAYE3578, AphA1-IAB
    Database cross-references and differences (RAF-indexed):
    • Uniprot B0VD92 (1-271)
      • expression tag (0)
    Domains in SCOPe 2.05: d4gkig_
  • Chain 'H':
    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: d4gkih_
  • Chain 'I':
    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: d4gkii_
  • Chain 'J':
    Compound: Aminoglycoside 3'-phosphotransferase AphA1-IAB
    Species: ACINETOBACTER BAUMANNII [TaxId:509173]
    Gene: ABAYE3578, AphA1-IAB
    Database cross-references and differences (RAF-indexed):
    • Uniprot B0VD92 (1-271)
      • expression tag (0)
    Domains in SCOPe 2.05: d4gkij_
  • Chain 'K':
    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: d4gkik_
  • Chain 'L':
    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: d4gkil_
  • Heterogens: KAN, 0JN, NA, CL, ACT, PEG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4gkiA (A:)
gmshiqretscsrprlnsnldadlygyrwardnvgqsgatiyrlygkpnapelflkhgkg
svandvtdemvrlnwltafmplptikhfirtpddawllttaipgktafqvleeypdsgen
ivdalavflrrlhsipvcncpfnsdrvfrlaqaqsrmnnglvdasdfdderngwpveqvw
kemhkllpfspdsvvthgdfsldnlifdegkligcidvgrvgiadryqdlailwnclgef
spslqkrlfqkygidnpdmnklqfhlmldeff

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4gkiB (B:)
lnsnldadlygyrwardnvgqsgatiyrlygkpnapelflkhgkgsvandvtdemvrlnw
ltafmplptikhfirtpddawllttaipgktafqvleeypdsgenivdalavflrrlhsi
pvcncpfnsdrvfrlaqaqsrmnnglvdasdfdderngwpveqvwkemhkllpfspdsvv
thgdfsldnlifdegkligcidvgrvgiadryqdlailwnclgefspslqkrlfqkygid
npdmnklqfhlmldeff

  • Chain 'C':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4gkiC (C:)
gmshiqretscsrprlnsnldadlygyrwardnvgqsgatiyrlygkpnapelflkhgkg
svandvtdemvrlnwltafmplptikhfirtpddawllttaipgktafqvleeypdsgen
ivdalavflrrlhsipvcncpfnsdrvfrlaqaqsrmnnglvdasdfdderngwpveqvw
kemhkllpfspdsvvthgdfsldnlifdegkligcidvgrvgiadryqdlailwnclgef
spslqkrlfqkygidnpdmnklqfhlmldeff

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

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

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

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

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4gkiF (F:)
hiqretscsrprldadlygyrwardngatiyrlygkpnapelflkhgkgsvandvtdemv
rlnwltafmplptikhfirtpddawllttaipgktafqvleeypdsgenivdalavflrr
lhsipvcncpfnsdrvfrlaqaqsrmnnglvdasdfdderngwpveqvwkemhkllpfsp
dsvvthgdfsldnlifdegkligcidvgrvgiadryqdlailwnclgefspslqkrlfqk
ygidnpdmnklqfhlmldeff

  • Chain 'G':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4gkiG (G:)
gmshiqretscsrprlnsnldadlygyrwardnvgqsgatiyrlygkpnapelflkhgkg
svandvtdemvrlnwltafmplptikhfirtpddawllttaipgktafqvleeypdsgen
ivdalavflrrlhsipvcncpfnsdrvfrlaqaqsrmnnglvdasdfdderngwpveqvw
kemhkllpfspdsvvthgdfsldnlifdegkligcidvgrvgiadryqdlailwnclgef
spslqkrlfqkygidnpdmnklqfhlmldeff

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4gkiH (H:)
snldadlygyrwardnvgqsgatiyrlygkpnapelflkhgkgsvandvtdemvrlnwlt
afmplptikhfirtpddawllttaipgktafqvleeypdsgenivdalavflrrlhsipv
cncpfnsdrvfrlaqaqsrmnnglvdasdfdderngwpveqvwkemhkllpfspdsvvth
gdfsldnlifdegkligcidvgrvgiadryqdlailwnclgefspslqkrlfqkygidnp
dmnklqfhlmldeff

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

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

  • Chain 'J':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4gkiJ (J:)
gmshiqretscsrprlnsnldadlygyrwardnvgqsgatiyrlygkpnapelflkhgkg
svandvtdemvrlnwltafmplptikhfirtpddawllttaipgktafqvleeypdsgen
ivdalavflrrlhsipvcncpfnsdrvfrlaqaqsrmnnglvdasdfdderngwpveqvw
kemhkllpfspdsvvthgdfsldnlifdegkligcidvgrvgiadryqdlailwnclgef
spslqkrlfqkygidnpdmnklqfhlmldeff

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

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

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4gkiL (L:)
etscsrprlnsnldadlygyrwardnvgqsgatiyrlygkpnapelflkhgkgsvandvt
demvrlnwltafmplptikhfirtpddawllttaipgktafqvleeypdsgenivdalav
flrrlhsipvcncpfnsdrvfrlaqaqsrmnnglvdasdfdderngwpveqvwkemhkll
pfspdsvvthgdfsldnlifdegkligcidvgrvgiadryqdlailwnclgefspslqkr
lfqkygidnpdmnklqfhlmldeff