Structure of PDB 7rlu Chain B Binding Site BS02

Receptor Information
>7rlu Chain B (length=583) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLELTEAELATAEAVRSSWMRILPNVPEVEDSTDFFKSGAASVDVVRLVE
EVKELCDGLELENEDVYMATTFRGFIQLLVRKLRGVINYVEKAVNKLTLQ
MPYQLFIGGEFVDAEGSKTYNTINPTDGSVICQVSLAQVSDVDKAVAAAK
EAFENGLWGKINARDRGRLLYRLADVMEQHQEELATIEALDAGAVYTLAL
KTHVGMSIQTFRYFAGWCDKIQGATIPINQARPNRNLTLTKKEPVGVCGI
VIPWNYPLMMLSWKTAACLAAGNTVVIKPAQVTPLTALKFAELTLKAGIP
KGVVNILPGSGSLVGQRLSDHPDVRKIGFTGSTEVGKHIMKSCALSNVKK
VSLELGGKSPLIIFADCDLNKAVQMGMSSVFFNKGENCIAAGRLFVEESI
HNQFVQKVVEEVEKMKIGNPLERDTNHGPQNHEAHLRKLVEYCQRGVKEG
ATLVCGGNQVPRPGFFFQPTVFTDVEDHMYIAKEESFGPIMIISRFADGD
VDAVLSRANATEFGLASGVFTRDINKALYVSDKLQAGTVFINTYNKTDVA
APFGGFKQSGFGKDLGEAALNEYLRIKTVTFEY
Ligand information
Ligand IDPNS
InChIInChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1
InChIKeyJDMUPRLRUUMCTL-VIFPVBQESA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)(CO[P](O)(O)=O)[C@@H](O)C(=O)NCCC(=O)NCCS
ACDLabs 10.04O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O
OpenEye OEToolkits 1.5.0CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O
OpenEye OEToolkits 1.5.0CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O
CACTVS 3.341CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCS
FormulaC11 H23 N2 O7 P S
Name4'-PHOSPHOPANTETHEINE
ChEMBL
DrugBankDB03912
ZINC
PDB chain7rlu Chain B Residue 1002 [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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PDB7rlu Structure of putative tumor suppressor ALDH1L1.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		F701 N706 C707 N864
Binding residue
(residue number reindexed from 1)		F382 N387 C388 N545
Annotation score1
Enzymatic activity
Enzyme Commision number 1.5.1.6: formyltetrahydrofolate dehydrogenase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004029 aldehyde dehydrogenase (NAD+) activity
GO:0004030 aldehyde dehydrogenase [NAD(P)+] activity
GO:0016155 formyltetrahydrofolate dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0016620 oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
GO:0033721 aldehyde dehydrogenase (NADP+) activity
GO:0044877 protein-containing complex binding
Biological Process
GO:0006730 one-carbon metabolic process
GO:0006740 NADPH regeneration
GO:0009058 biosynthetic process
GO:0009258 10-formyltetrahydrofolate catabolic process
GO:0046654 tetrahydrofolate biosynthetic process
GO:0046655 folic acid metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0032991 protein-containing complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7rlu, PDBe:7rlu, PDBj:7rlu
PDBsum7rlu
PubMed35013550
UniProtP28037|AL1L1_RAT Cytosolic 10-formyltetrahydrofolate dehydrogenase (Gene Name=Aldh1l1)

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