Structure of PDB 6hd1 Chain C Binding Site BS02

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 IDHEM
InChIInChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
FormulaC34 H32 Fe N4 O4
NamePROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBankDB18267
ZINC
PDB chain6hd1 Chain C Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		R245 P248 H304 G352 C394 H397 Y401 Y420
Binding residue
(residue number reindexed from 1)		R227 P230 H286 G334 C376 H379 Y383 Y402
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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