Structure of PDB 1fdj Chain B Binding Site BS01

Receptor Information
>1fdj Chain B (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 B Residue 6001 [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)		K2146 R2148 E2187 E2189 K2229 L2270 S2271 G2272 G2273 R2303
Binding residue
(residue number reindexed from 1)		K146 R148 E187 E189 K229 L270 S271 G272 G273 R303
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D2033 K2146 E2187 E2189 K2229 S2300 Y2363
Catalytic site (residue number reindexed from 1) D33 K146 E187 E189 K229 S300 Y363
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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