Structure of PDB 1de4 Chain I Binding Site BS01

Receptor Information
>1de4 Chain I (length=635) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LYWDDLKRKLSEKLDSTDFTSTIKLLNENSYVPREAGSQKDENLALYVEN
QFREFKLSKVWRDQHFVKIQVKDSAQNSVIIVDKNGRLVYLVENPGGYVA
YSKAATVTGKLVHANFGTKKDFEDLYTPVNGSIVIVRAGKITFAEKVANA
ESLNAIGVLIYMDQTKFPIVNAELSFFGHAHLGTGDPYTPGFPSFNHTQF
PPSRSSGLPNIPVQTISRAAAEKLFGNMEGDCPSDWKTDSTCRMVTSESK
NVKLTVSNVLKEIKILNIFGVIKGFVEPDHYVVVGAQRDAWGPGAAKSGV
GTALLLKLAQMFSDMVLKDGFQPSRSIIFASWSAGDFGSVGATEWLEGYL
SSLHLKAFTYINLDKAVLGTSNFKVSASPLLYTLIEKTMQNVKHPVTGQF
LYQDSNWASKVEKLTLDNAAFPFLAYSGIPAVSFCFCEDTDYPYLGTTMD
TYKELIERIPELNKVARAAAEVAGQFVIKLTHDVELNLDYERYNSQLLSF
VRDLNQYRADIKEMGLSLQWLYSARGDFFRATSRLTTDFGNAEKTDRFVM
KKLNDRVMRVEYHFLSPYVSPKESPFRHVFWGSGSHTLPALLENLKLRKQ
NNGAFNETLFRNQLALATWTIQGAANALSGDVWDI
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1de4 Chain I Residue 803 [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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PDB1de4 Crystal structure of the hereditary haemochromatosis protein HFE complexed with transferrin receptor.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		T310 F313 E465 E468
Binding residue
(residue number reindexed from 1)		T189 F192 E344 E347
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004998 transferrin receptor activity
Biological Process
GO:0033572 transferrin transport

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Molecular Function
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Biological Process
External links
PDB RCSB:1de4, PDBe:1de4, PDBj:1de4
PDBsum1de4
PubMed10638746
UniProtP02786|TFR1_HUMAN Transferrin receptor protein 1 (Gene Name=TFRC)

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