Structure of PDB 7tai Chain A Binding Site BS03

Receptor Information
>7tai Chain A (length=424) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARKVTVGVIGSGDFAKSLTIRLIRCGYHVVIGSRNPKFASEFFPHVVDVT
HHEDALTKTNIIFVAIHREHYTSLWDLRHLLVGKILIDVSNNMRINQYPE
SNAEYLASLFPDSLIVKGFNVVSAWALQLGPKDASRQVYICSNNIQARQQ
VIELARQLNFIPIDLGSLSSAREIENLPLRLFTLWRGPVVVAISLATFFF
LYSFVRDVIHPYARNQQSDFYKIPIEIVNKTLPIVAITLLSLVYLAGLLA
AAYQLYYGTKYRRFPPWLETWLQCRKQLGLLSFFFAMVHVAYSLCLPMRR
SERYNEEEVWRIEMYISFGIMSLGLLSLLAVTSIPSVSNALNWREFSFIQ
STLGYVALLISTFHVLIYGWKRAFEEEYYRFYTPPNFVLALVLPSIVILG
KIILFLPCISRKLKRIKKGWEKSQ
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 chain7tai Chain A Residue 502 [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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PDB7tai Structure of STEAP2 in complex with ligands
Resolution3.2 Å
Binding residue
(original residue number in PDB)		P260 H316 V317 G364 S406 H409 V410 Y413
Binding residue
(residue number reindexed from 1)		P233 H289 V290 G319 S361 H364 V365 Y368
Annotation score1
Enzymatic activity
Enzyme Commision number 1.16.1.-
Gene Ontology
Molecular Function
GO:0008823 cupric reductase (NADH) activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0052851 ferric-chelate reductase (NADPH) activity
Biological Process
GO:0006826 iron ion transport
GO:0006893 Golgi to plasma membrane transport
GO:0006897 endocytosis
GO:0009725 response to hormone
GO:0015677 copper ion import
GO:0045055 regulated exocytosis
GO:0098705 copper ion import across plasma membrane
GO:0098706 iron ion import across cell outer membrane
GO:0098711 iron ion import across plasma membrane
Cellular Component
GO:0000139 Golgi membrane
GO:0005768 endosome
GO:0005769 early endosome
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0010008 endosome membrane
GO:0030140 trans-Golgi network transport vesicle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7tai, PDBe:7tai, PDBj:7tai
PDBsum7tai
PubMed37983176
UniProtQ8NFT2|STEA2_HUMAN Metalloreductase STEAP2 (Gene Name=STEAP2)

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