Structure of PDB 7lub Chain A Binding Site BS01

Receptor Information
>7lub Chain A (length=460) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSFRIEYDTFGELKVPNDKYYGAQTVRSTMNFKIGGVTERMPTPVIKAFG
ILKRAAAEVNQDYGLDPKIANAIMKAADEVAEGKLNDHFPLVVWQTGSGT
QTNMNVNEVISNRAIEMLGGELGSKIPVHPNDHVNKSQSSNDTFPTAMHI
AAAIEVHEVLLPGLQKLHDALDAKSKEFAQIIKIGRTHTQDAVPLTLGQE
FSGYVQQVKYAMTRIKAAMPRIYELAAGGTAVGTGLNTRIGFAEKVAAKV
AALTGLPFVTAPNKFEALAAHDALVELSGAMNTTACSLMKIANDIRFLGS
GPRSGLGELILPENEPGSSIMPGKVNPTQCEAMTMVAAQVMGNHVAVTVG
GSNGHFELNVFKPMMIKNVLHSARLLGDASVSFTENCVVGIQANTERINK
LMNESLMLVTALNPHIYDKAAKIAKTAHKNGSTLETIELGYLTAEQFDEW
VKPKDMLGPK
Ligand information
Ligand IDAPO
InChIInChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1
InChIKeyLBTABPSJONFLPO-UWTATZPHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)P(=O)(O)O
ACDLabs 10.04O=C(O)C(N)CP(=O)(O)O
CACTVS 3.341N[C@H](C[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C([C@H](C(=O)O)N)P(=O)(O)O
CACTVS 3.341N[CH](C[P](O)(O)=O)C(O)=O
FormulaC3 H8 N O5 P
NameD-2-AMINO-3-PHOSPHONO-PROPIONIC ACID
ChEMBLCHEMBL1231023
DrugBankDB03292
ZINCZINC000003873029
PDB chain7lub Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7lub Protein-metabolite interactomics of carbohydrate metabolism reveal regulation of lactate dehydrogenase.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		T147 S186 S187 N188
Binding residue
(residue number reindexed from 1)		T100 S139 S140 N141
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.2: fumarate hydratase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004333 fumarate hydratase activity
GO:0005515 protein binding
GO:0016829 lyase activity
Biological Process
GO:0006099 tricarboxylic acid cycle
GO:0006106 fumarate metabolic process
GO:0006108 malate metabolic process
GO:0006281 DNA repair
GO:0048873 homeostasis of number of cells within a tissue
GO:0120162 positive regulation of cold-induced thermogenesis
Cellular Component
GO:0005634 nucleus
GO:0005694 chromosome
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix
GO:0005829 cytosol
GO:0070062 extracellular exosome

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7lub, PDBe:7lub, PDBj:7lub
PDBsum7lub
PubMed36893255
UniProtP07954|FUMH_HUMAN Fumarate hydratase, mitochondrial (Gene Name=FH)

[Back to BioLiP]