Structure of PDB 3vf1 Chain A Binding Site BS01

Receptor Information
>3vf1 Chain A (length=680) Species: 134440 (Gersemia fruticosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMKYKITVETGDLRGAGTDASVSIKLTGKDGAETSAFSLDKYFHNDFESG
GTDTYDQSGVDVGEIAMITLKENGFGLKSDWYIAKVIIEKIDEATGFSNK
YIFPCYRWVIKQLVVYEGKAILPNSKDNVKTIAEQRTKEVSENKKLYKWG
TDPRYVQDLPGFVDAEEPKSLPKDVQFTDEATSSLFRVGLADFANLGLSH
LFGIWDDWDCLEDFRQLITPAIKSGLPHAAEYWRDDVWFGSQFLNGSNPE
VIRRCDKLPENFPVKNEMVEKLLDRGYTLEKAMKEGLIFITDYKILEGIP
TMDTPEDKRYITTPLGLFYLKNNDDIIPIAIQLYQQPGENNSIWTPLKDT
EWDWIMAKLWLRCADTQYHQMITHLLRCHLMMEPTAVSSWRNLPSVHPVW
KLLYPHTKGIMAINTLGRNDLIPTGGAADKVLSIGGGGQVTLMQKHYRSV
TFDSYDLVKDLRQRGVDGLRKFYYKDDALLLWNVIHQFVQDIIQIYYNDD
DSVKKDNEIQDWIRDLHENGYPAGSDGTDKKVPKSFENREELVHFLTVVV
FTCSCQHAAVNFSQMATYGFHPNSPTLMRQPPPTEKGKSNHKVIMASLAN
KHQAVTMVSVVNALTTIYPTEKFLGDYADNLFGDAAAHAAMAKFKSNLAN
ITKQITERNQGMVSPYTWLIPGHVPNSIAI
Ligand information
Ligand IDFRU
InChIInChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
InChIKeyRFSUNEUAIZKAJO-ARQDHWQXSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OC1C(O)C(OC1(O)CO)CO
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
CACTVS 3.341OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)(CO)O)O)O)O
CACTVS 3.341OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
FormulaC6 H12 O6
Namebeta-D-fructofuranose;
beta-D-fructose;
D-fructose;
fructose
ChEMBLCHEMBL604608
DrugBank
ZINCZINC000001529270
PDB chain3vf1 Chain C Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3vf1 Structure of a Calcium-dependent 11R-Lipoxygenase Suggests a Mechanism for Ca2+ Regulation.
Resolution2.473 Å
Binding residue
(original residue number in PDB)		K474 D475
Binding residue
(residue number reindexed from 1)		K475 D476
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H373 H378 H556 N560 I679
Catalytic site (residue number reindexed from 1) H374 H379 H557 N561 I680
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016702 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0006629 lipid metabolic process
GO:0034440 lipid oxidation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3vf1, PDBe:3vf1, PDBj:3vf1
PDBsum3vf1
PubMed22573333
UniProtQ2N410

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