Structure of PDB 8ucd Chain A Binding Site BS04

Receptor Information
>8ucd Chain A (length=240) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELFPQWHLPIKIAAIIASLTFLYTLLREVIHPLATSHQQYFYKIPILVIN
KVLPMVSITLLALVYLPGVIAAIVQLHNKFPHWLDKWMLTRKQFGLLSFF
FAVLHAIYSLSYPMRRSYRYKLLNWAYQQVQQNKEDAWIEHDVWRMEIYV
SLGIVGLAILALLAVTSIPSVSDSLTWREFHYIQSKLGIVSLLLGTIHAL
IFAWNKWIDIKQFVWYTPPTFMIAVFLPIVVLIFKSILFL
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 chain8ucd Chain A Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ucd AMG 509 (Xaluritamig), an Anti-STEAP1 XmAb 2+1 T-cell Redirecting Immune Therapy with Avidity-Dependent Activity Against Prostate Cancer.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		P119 H175 A176 G223 L227 H268 F272
Binding residue
(residue number reindexed from 1)		P54 H105 A106 G153 L157 H198 F202
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0052851 ferric-chelate reductase (NADPH) activity
Cellular Component
GO:0005768 endosome
GO:0005886 plasma membrane
GO:0005911 cell-cell junction
GO:0010008 endosome membrane
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:8ucd, PDBe:8ucd, PDBj:8ucd
PDBsum8ucd
PubMed37861452
UniProtQ9UHE8|STEA1_HUMAN STEAP1 protein (Gene Name=STEAP1)

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