Structure of PDB 1fdj Chain A Binding Site BS01

Receptor Information
>1fdj Chain A (length=363) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AHRFPALTPEQKKELSDIAQRIVANGKGILAADESVGTMGNRLQRIKVEN
SEENRRQFREILFTVDNSINQSIGGVILFHETLYQKDSQGKLFRNILKEK
GIVVGIKLDQGGAPLAGTNKETTIQGLDGLSERCAQYKKDGVDFGKWRAV
LRIADQCPSSLAIQENANTLARYASICQQNGLVPIVEPEVIPDGDHDLEH
CQYVTEKVLAAVYKALNDHHVYLEGTLLKPNMVTAGHACTKKYTPEQVAM
ATVTALHRTVPAAVPGICFLSGGMSEEDATLNLNAINLCPLPKPWKLSFS
YGRALQASALAAWGGKAENKKATQEAFMKRAVVNCQAAKGQYVHTGSSGA
ASTQSLFTASYTY
Ligand information
Ligand ID2FP
InChIInChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5+,6+/m1/s1
InChIKeyXPYBSIWDXQFNMH-PYWDMBMJSA-N
SMILES
SoftwareSMILES
CACTVS 3.370O[C@H](CO[P](O)(O)=O)[C@H](O)[C@@H](O)C(=O)CO[P](O)(O)=O
OpenEye OEToolkits 1.7.0C(C(C(C(C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O
ACDLabs 12.01O=P(OCC(O)C(O)C(O)C(=O)COP(=O)(O)O)(O)O
CACTVS 3.370O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)C(=O)CO[P](O)(O)=O
OpenEye OEToolkits 1.7.0C([C@H]([C@@H]([C@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O
FormulaC6 H14 O12 P2
Name1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)
ChEMBL
DrugBank
ZINCZINC000012502216
PDB chain1fdj Chain A Residue 5001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1fdj Enhanced electron density envelopes by extended solvent definition
Resolution2.1 Å
Binding residue
(original residue number in PDB)		K1107 R1148 E1189 S1271 G1272 R1303
Binding residue
(residue number reindexed from 1)		K107 R148 E189 S271 G272 R303
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.2.13: fructose-bisphosphate aldolase.
Gene Ontology
Molecular Function
GO:0004332 fructose-bisphosphate aldolase activity
GO:0016829 lyase activity
GO:0061609 fructose-1-phosphate aldolase activity
Biological Process
GO:0006000 fructose metabolic process
GO:0006094 gluconeogenesis
GO:0006096 glycolytic process
GO:0030388 fructose 1,6-bisphosphate metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0034451 centriolar satellite

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1fdj, PDBe:1fdj, PDBj:1fdj
PDBsum1fdj
PubMed
UniProtP79226|ALDOB_RABIT Fructose-bisphosphate aldolase B (Gene Name=ALDOB)

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