Structure of PDB 8grj Chain B Binding Site BS03

Receptor Information
>8grj Chain B (length=531) Species: 292 (Burkholderia cepacia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADVVVVGSGVAGAIVAHQLAMAGKAVILLEAGPRMPRWEIVERFRNQPDK
MDFMAPYPSSPWAPHPEYGPPNDYLILKGEHKFNSQYIRAVGGTTWHWAA
SAWRFIPNDFKMKSVYGVGRDWPIQYDDLEPYYQRAEEELGVWGPGPEED
LYSPRKQPYPMPPLPLSFNEQTIKTALNNYDPKFHVVTEPVARNSRPYDG
RPTCCGNNNCMPICPIGAMYNGIVHVEKAERAGAKLIENAVVYKLETGPD
KRIVAALYKDKTGAEHRVEGKYFVLAANGIETPKILLMSANRDFPNGVAN
SSDMVGRNLMDHPGTGVSFYASEKLWPGRGPQEMTSLIGFRDGPFRATEA
AKKIHLSNLSRIDQETQKIFKAGKLMKPDELDAQIRDRSARYVQFDCFHE
ILPQPENRIVPSKTATDAIGIPRPEITYAIDDYVKRGAAHTREVYATAAK
VLGGTDVVFNDEFAPNNHITGSTIMGADARDSVVDKDCRTFDHPNLFISS
SATMPTVGTVNVTLTIAALALRMSDTLKKEV
Ligand information
Ligand IDLGC
InChIInChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1
InChIKeyPHOQVHQSTUBQQK-SQOUGZDYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O
CACTVS 3.341OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.341OC[CH]1OC(=O)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04O=C1OC(CO)C(O)C(O)C1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(=O)O1)O)O)O)O
FormulaC6 H10 O6
NameD-glucono-1,5-lactone;
(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-ONE;
GLUCONOLACTONE
ChEMBLCHEMBL1200829
DrugBankDB04564
ZINCZINC000002539702
PDB chain8grj Chain B Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8grj X-ray structure of the direct electron transfer-type FAD glucose dehydrogenase catalytic subunit complexed with a hitchhiker protein.
Resolution2.95 Å
Binding residue
(original residue number in PDB)		M219 E341 H363 N474 N475 H476 N519
Binding residue
(residue number reindexed from 1)		M211 E333 H355 N466 N467 H468 N511
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0016614 oxidoreductase activity, acting on CH-OH group of donors
GO:0046872 metal ion binding
GO:0050660 flavin adenine dinucleotide binding
GO:0051538 3 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:8grj, PDBe:8grj, PDBj:8grj
PDBsum8grj
PubMed
UniProtQ8GQE7

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