PDB entry 3uxm
View 3uxm on RCSB PDB site
Description: Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation
Class: transferase/transferase inhibitor
Keywords: Thymidylate kinase, thymidine triphosphate, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on
2011-12-05, released
2012-02-01
The last revision prior to the SCOPe 2.08 freeze date was dated
2012-11-14, with a file datestamp of
2012-11-09.
Experiment type: XRAY
Resolution: 1.95 Å
R-factor: 0.178
AEROSPACI score: 0.46
(click here for full SPACI score report)
Chains and heterogens:
- Chain 'A':
Compound: thymidylate kinase
Species: Pseudomonas aeruginosa [TaxId:208964]
Gene: PA2962, tmk
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.08: d3uxma_ - Chain 'B':
Compound: thymidylate kinase
Species: Pseudomonas aeruginosa [TaxId:208964]
Gene: PA2962, tmk
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.08: d3uxmb_ - Chain 'C':
Compound: thymidylate kinase
Species: Pseudomonas aeruginosa [TaxId:208964]
Gene: PA2962, tmk
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.08: d3uxmc_ - Chain 'D':
Compound: thymidylate kinase
Species: Pseudomonas aeruginosa [TaxId:208964]
Gene: PA2962, tmk
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.08: d3uxmd_ - Heterogens: MG, 0DN, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>3uxmA (A:)
tglfvtlegpegagkstnrdylaerlrergievqltrepggtplaerirelllapsdepm
aadtelllmfaaraqhlagvirpalargavvlcdrftdatyayqgggrglpeariaales
fvqgdlrpdltlvfdlpveiglaraaargrldrfeqedrrffeavrqtylqraaqapery
qvldaglplaevqagldrllpnllerlnggs
Sequence, based on observed residues (ATOM records): (download)
>3uxmA (A:)
glfvtlegpegtnrdylaerlrergievqltrepggtplaerirelllapsdepmaadte
lllmfaaraqhlagvirpalargavvlcdrftdatyayqgggrglpeariaalesfvqgd
lrpdltlvfdlpveiglarrldrfeqedrrffeavrqtylqraaqaperyqvldaglpla
evqagldrllpnllerl
- Chain 'B':
Sequence, based on SEQRES records: (download)
>3uxmB (B:)
tglfvtlegpegagkstnrdylaerlrergievqltrepggtplaerirelllapsdepm
aadtelllmfaaraqhlagvirpalargavvlcdrftdatyayqgggrglpeariaales
fvqgdlrpdltlvfdlpveiglaraaargrldrfeqedrrffeavrqtylqraaqapery
qvldaglplaevqagldrllpnllerlnggs
Sequence, based on observed residues (ATOM records): (download)
>3uxmB (B:)
tglfvtlegpegagkstnrdylaerlrergievqltrepggtplaerirelllapsdepm
aadtelllmfaaraqhlagvirpalargavvlcdrftdatyayqgggrglpeariaales
fvqgdlrpdltlvfdlpveiglaraaargdrfeqedrrffeavrqtylqraaqaperyqv
ldaglplaevqagldrllpnller
- Chain 'C':
Sequence, based on SEQRES records: (download)
>3uxmC (C:)
tglfvtlegpegagkstnrdylaerlrergievqltrepggtplaerirelllapsdepm
aadtelllmfaaraqhlagvirpalargavvlcdrftdatyayqgggrglpeariaales
fvqgdlrpdltlvfdlpveiglaraaargrldrfeqedrrffeavrqtylqraaqapery
qvldaglplaevqagldrllpnllerlnggs
Sequence, based on observed residues (ATOM records): (download)
>3uxmC (C:)
tglfvtlegpegatnrdylaerlrergievqltrepggtplaerirelllapsdepmaad
telllmfaaraqhlagvirpalargavvlcdrftdatyayqgggrglpeariaalesfvq
gdlrpdltlvfdlpveiglaraaldrfeqedrrffeavrqtylqraaqaperyqvldagl
plaevqagldrllpnllerl
- Chain 'D':
Sequence, based on SEQRES records: (download)
>3uxmD (D:)
tglfvtlegpegagkstnrdylaerlrergievqltrepggtplaerirelllapsdepm
aadtelllmfaaraqhlagvirpalargavvlcdrftdatyayqgggrglpeariaales
fvqgdlrpdltlvfdlpveiglaraaargrldrfeqedrrffeavrqtylqraaqapery
qvldaglplaevqagldrllpnllerlnggs
Sequence, based on observed residues (ATOM records): (download)
>3uxmD (D:)
glfvtlegpegagkstnrdylaerlrergievqltrepggtplaerirelllapsdepma
adtelllmfaaraqhlagvirpalargavvlcdrftdatyayqgggrglpeariaalesf
vqgdlrpdltlvfdlpveiglaraaargrldrfeqedrrffeavrqtylqraaqaperyq
vldaglplaevqagldrllpnll