Structure of PDB 6hd1 Chain C Binding Site BS04

Receptor Information
>6hd1 Chain C (length=436) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QETVCIFGTGDFGRSLGLKMLQCGYSVVFGSRNPQKTTLLPSGAEVLSYS
EAAKKSGIIIIAIHREHYDFLTELTEVLNGKILVDISNNLKINQYPESNA
EYLAHLVPGAHVVKAFNTISAWALQSGALDASRQVFVCGNDSKAKQRVMD
IVRNLGLTPMDQGSLMAAKEIEKYPLQLFPMWRFPFYLSAVLCVFLFFYC
VIRDVIYPYVYEKKDNTFRMAISIPNRIFPITALTLLALVYLPGVIAAIL
QLYRGTKYRRFPDWLDHWMLCRKQLGLVALGFAFLHVLYTLVIPIRYYVR
WRLGNLTVTQAILKKENPFSTSSAWLSDSYVALGILGFFLFVLLGITSLP
SVSNAVNWREFRFVQSKLGYLTLILCTAHTLVYGGKRFLSPSNLRWYLPA
AYVLGLIIPCTVLVIKFVLIMPCVDNTLTRIRQGWE
Ligand information
Ligand ID44E
InChIInChI=1S/C15H29O8P/c1-3-5-7-9-14(16)21-11-13(12-22-24(18,19)20)23-15(17)10-8-6-4-2/h13H,3-12H2,1-2H3,(H2,18,19,20)/t13-/m1/s1
InChIKeySFZZRGHNPILUOD-CYBMUJFWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCC
CACTVS 3.385CCCCCC(=O)OC[CH](CO[P](O)(O)=O)OC(=O)CCCCC
CACTVS 3.385CCCCCC(=O)OC[C@H](CO[P](O)(O)=O)OC(=O)CCCCC
ACDLabs 12.01O=C(OC(COP(=O)(O)O)COC(=O)CCCCC)CCCCC
OpenEye OEToolkits 1.9.2CCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCC
FormulaC15 H29 O8 P
Name(2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate
ChEMBL
DrugBank
ZINC
PDB chain6hd1 Chain C Residue 505 [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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PDB6hd1 Cryo-EM structures of human STEAP4 reveal mechanism of iron(III) reduction.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		W200 K291 Q292
Binding residue
(residue number reindexed from 1)		W182 K273 Q274
Annotation score1
Enzymatic activity
Enzyme Commision number 1.16.1.-
Gene Ontology
Molecular Function
GO:0008823 cupric reductase (NADH) activity
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0052851 ferric-chelate reductase (NADPH) activity
GO:0071949 FAD binding
Biological Process
GO:0006826 iron ion transport
GO:0015677 copper ion import
GO:0033212 iron import into cell
GO:0045444 fat cell differentiation
GO:0070207 protein homotrimerization
GO:0098706 iron ion import across cell outer membrane
Cellular Component
GO:0000139 Golgi membrane
GO:0005654 nucleoplasm
GO:0005768 endosome
GO:0005794 Golgi apparatus
GO:0005886 plasma membrane
GO:0010008 endosome membrane
GO:0016020 membrane
GO:0031901 early endosome membrane
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6hd1, PDBe:6hd1, PDBj:6hd1
PDBsum6hd1
PubMed30337524
UniProtQ687X5|STEA4_HUMAN Metalloreductase STEAP4 (Gene Name=STEAP4)

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