Structure of PDB 6a2u Chain D Binding Site BS02

Receptor Information
>6a2u Chain D (length=530) Species: 292 (Burkholderia cepacia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVVVVGSGVAGAIVAHQLAMAGKAVILLEAGPRMPRWEIVERFRNQPDKM
DFMAPYPSSPWAPHPEYGPPNDYLILKGEHKFNSQYIRAVGGTTWHWAAS
AWRFIPNDFKMKSVYGVGRDWPIQYDDLEPYYQRAEEELGVWGPGPEEDL
YSPRKQPYPMPPLPLSFNEQTIKTALNNYDPKFHVVTEPVARNSRPYDGR
PTCCGNNNCMPICPIGAMYNGIVHVEKAERAGAKLIENAVVYKLETGPDK
RIVAALYKDKTGAEHRVEGKYFVLAANGIETPKILLMSANRDFPNGVANS
SDMVGRNLMDHPGTGVSFYASEKLWPGRGPQEMTSLIGFRDGPFRATEAA
KKIHLSNLSRIDQETQKIFKAGKLMKPDELDAQIRDRSARYVQFDCFHEI
LPQPENRIVPSKTATDAIGIPRPEITYAIDDYVKRGAAHTREVYATAAKV
LGGTDVVFNDEFAPNNHITGSTIMGADARDSVVDKDCRTFDHPNLFISSS
ATMPTVGTVNVTLTIAALALRMSDTLKKEV
Ligand information
Ligand IDF3S
InChIInChI=1S/3Fe.4S
InChIKeyFCXHZBQOKRZXKS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385S1[Fe]S[Fe]2S[Fe]1S2
OpenEye OEToolkits 2.0.7S1[Fe]2S[Fe]3[S]2[Fe]1S3
FormulaFe3 S4
NameFE3-S4 CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain6a2u Chain D Residue 702 [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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PDB6a2u X-ray structure of the direct electron transfer-type FAD glucose dehydrogenase catalytic subunit complexed with a hitchhiker protein.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		C212 C213 N215 N217 C218 C222 I224 P339
Binding residue
(residue number reindexed from 1)		C203 C204 N206 N208 C209 C213 I215 P330
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.5.9: glucose 1-dehydrogenase (FAD, quinone).
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:6a2u, PDBe:6a2u, PDBj:6a2u
PDBsum6a2u
PubMed31478907
UniProtQ8GQE7

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