PDB entry 5cga

View 5cga on RCSB PDB site
Description: Structure of Hydroxyethylthiazole kinase ThiM from Staphylococcus aureus in complex with substrate analog 2-(1,3,5-trimethyl-1H-pyrazole-4-yl)ethanol
Class: transferase
Keywords: Bacterial Thiamine Biosynthesis, Hydroxyethylthiazole Kinase, Substrate Analog, transferase
Deposited on 2015-07-09, released 2016-03-23
The last revision prior to the SCOPe 2.08 freeze date was dated 2018-03-07, with a file datestamp of 2018-03-02.
Experiment type: XRAY
Resolution: 1.87 Å
R-factor: N/A
AEROSPACI score: 0.35 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: hydroxyethylthiazole kinase
    Species: Staphylococcus aureus MRSA252 [TaxId:282458]
    Gene: thiM, SAR2181
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q6GEY3 (0-262)
      • expression tag (263-264)
    Domains in SCOPe 2.08: d5cgaa1, d5cgaa2
  • Chain 'B':
    Compound: hydroxyethylthiazole kinase
    Species: Staphylococcus aureus MRSA252 [TaxId:282458]
    Gene: thiM, SAR2181
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d5cgab_
  • Chain 'C':
    Compound: hydroxyethylthiazole kinase
    Species: Staphylococcus aureus MRSA252 [TaxId:282458]
    Gene: thiM, SAR2181
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d5cgac_
  • Chain 'E':
    Compound: hydroxyethylthiazole kinase
    Species: Staphylococcus aureus MRSA252 [TaxId:282458]
    Gene: thiM, SAR2181
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q6GEY3 (0-262)
      • expression tag (263-267)
    Domains in SCOPe 2.08: d5cgae1, d5cgae2
  • Chain 'F':
    Compound: hydroxyethylthiazole kinase
    Species: Staphylococcus aureus MRSA252 [TaxId:282458]
    Gene: thiM, SAR2181
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d5cgaf_
  • Chain 'H':
    Compound: hydroxyethylthiazole kinase
    Species: Staphylococcus aureus MRSA252 [TaxId:282458]
    Gene: thiM, SAR2181
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d5cgah_
  • Heterogens: KP6, MG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5cgaA (A:)
mnylnnirienplticytndvvknftangllsigaspamseapeeaeefykvaqallini
gtltaqneqdiiaiaqtaneaglpivfdpvavgastyrkqfcklllksakvsvikgnase
ilaliddtatmkgtdsdanldavtiakkayaiyktaivitgkedvivqgdkaivlangsp
llarvtgagcllggiiagflfretepdiealieavsvfniaaevaaenencggpgtfspl
lldtlyhlnettyqqririqeveenlyqqsghhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >5cgaA (A:)
mnylnnirienplticytndvvknftangllsigaspamseapeeaeefykvaqallini
gtltaqneqdiiaiaqtaneaglpivfdpvavgastyrkqfcklllksakvsvikgnase
ilalidldavtiakkayaiyktaivitgkedvivqgdkaivlangspllarvtgagcllg
giiagflfretepdiealieavsvfniaaevaaenencggpgtfspllldtlyhlnetty
qqririqeveen

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >5cgaB (B:)
mnylnnirienplticytndvvknftangllsigaspamseapeeaeefykvaqallini
gtltaqneqdiiaiaqtaneaglpivfdpvavgastyrkqfcklllksakvsvikgnase
ilaliddtatmkgtdsdanldavtiakkayaiyktaivitgkedvivqgdkaivlangsp
llarvtgagcllggiiagflfretepdiealieavsvfniaaevaaenencggpgtfspl
lldtlyhlnettyqqririqeveenlyqqsghhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >5cgaB (B:)
mnylnnirienplticytndvvknftangllsigaspamseapeeaeefykvaqallini
gtltaqneqdiiaiaqtaneaglpivfdpvavgastyrkqfcklllksakvsvikgnase
ilalidldavtiakkayaiyktaivitgkedvivqgdkaivlangspllarvtgagcllg
giiagflfretepdiealieavsvfniaaevaaenencggpgtfspllldtlyhlnetty
qqririqev

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >5cgaC (C:)
mnylnnirienplticytndvvknftangllsigaspamseapeeaeefykvaqallini
gtltaqneqdiiaiaqtaneaglpivfdpvavgastyrkqfcklllksakvsvikgnase
ilaliddtatmkgtdsdanldavtiakkayaiyktaivitgkedvivqgdkaivlangsp
llarvtgagcllggiiagflfretepdiealieavsvfniaaevaaenencggpgtfspl
lldtlyhlnettyqqririqeveenlyqqsghhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >5cgaC (C:)
mnylnnirienplticytndvvknftangllsigaspamseapeeaeefykvaqallini
gtltaqneqdiiaiaqtaneaglpivfdpvavgastyrkqfcklllksakvsvikgnase
ilaliddtldavtiakkayaiyktaivitgkedvivqgdkaivlangspllarvtgagcl
lggiiagflfretepdiealieavsvfniaaevaaenencggpgtfspllldtlyhlnet
tyqqririqev

  • Chain 'E':
    Sequence, based on SEQRES records: (download) 
    >5cgaE (E:)
mnylnnirienplticytndvvknftangllsigaspamseapeeaeefykvaqallini
gtltaqneqdiiaiaqtaneaglpivfdpvavgastyrkqfcklllksakvsvikgnase
ilaliddtatmkgtdsdanldavtiakkayaiyktaivitgkedvivqgdkaivlangsp
llarvtgagcllggiiagflfretepdiealieavsvfniaaevaaenencggpgtfspl
lldtlyhlnettyqqririqeveenlyqqsghhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >5cgaE (E:)
mnylnnirienplticytndvvknftangllsigaspamseapeeaeefykvaqallini
gtltaqneqdiiaiaqtaneaglpivfdpvavgastyrkqfcklllksakvsvikgnase
ilalidldavtiakkayaiyktaivitgkedvivqgdkaivlangspllarvtgagcllg
giiagflfretepdiealieavsvfniaaevaaenencggpgtfspllldtlyhlnetty
qqririqeveenlyq

  • Chain 'F':
    Sequence, based on SEQRES records: (download) 
    >5cgaF (F:)
mnylnnirienplticytndvvknftangllsigaspamseapeeaeefykvaqallini
gtltaqneqdiiaiaqtaneaglpivfdpvavgastyrkqfcklllksakvsvikgnase
ilaliddtatmkgtdsdanldavtiakkayaiyktaivitgkedvivqgdkaivlangsp
llarvtgagcllggiiagflfretepdiealieavsvfniaaevaaenencggpgtfspl
lldtlyhlnettyqqririqeveenlyqqsghhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >5cgaF (F:)
nylnnirienplticytndvvknftangllsigaspamseapeeaeefykvaqallinig
tltaqneqdiiaiaqtaneaglpivfdpvavgastyrkqfcklllksakvsvikgnasei
lalidldavtiakkayaiyktaivitgkedvivqgdkaivlangspllarvtgagcllgg
iiagflfretepdiealieavsvfniaaevaaenencggpgtfspllldtlyhlnettyq
qriri

  • Chain 'H':
    Sequence, based on SEQRES records: (download) 
    >5cgaH (H:)
mnylnnirienplticytndvvknftangllsigaspamseapeeaeefykvaqallini
gtltaqneqdiiaiaqtaneaglpivfdpvavgastyrkqfcklllksakvsvikgnase
ilaliddtatmkgtdsdanldavtiakkayaiyktaivitgkedvivqgdkaivlangsp
llarvtgagcllggiiagflfretepdiealieavsvfniaaevaaenencggpgtfspl
lldtlyhlnettyqqririqeveenlyqqsghhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >5cgaH (H:)
mnylnnirienplticytndvvknftangllsigaspamseapeeaeefykvaqallini
gtltaqneqdiiaiaqtaneaglpivfdpvavgastyrkqfcklllksakvsvikgnase
ilalidldavtiakkayaiyktaivitgkedvivqgdkaivlangspllarvtgagcllg
giiagflfretepdiealieavsvfniaaevaaenencggpgtfspllldtlyhlnetty
qqriri