Structure of PDB 7ne1 Chain A Binding Site BS03

Receptor Information
>7ne1 Chain A (length=414) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PDPCSDENGHPRRCIPDFVNAAFGKDVRVSSTCGRPPARYCVVSERGEER
LRSCHLCNASDPKKAHPPAFLTDLNNPHNLTCWQSENYLQFPHNVTLTLS
LGKKFEVTYVSLQFCSPRPESMAIYKSMDYGRTWVPFQFYSTQCRKMYNR
PHRAPITKQNEQEAVCTDSHTDMRPLSGGLIAFSTLDGRPSAHDFDNSPV
LQDWVTATDIRVAFSRLHTFGDENEDDSELARDSYFYAVSDLQVGGRCKC
NGHAARCVRDRDDSLVCDCRHNTAGPECDRCKPFHYDRPWQRATAREANE
CVACNCNLHARRCRFNMELYKLSGRKSGGVCLNCRHNTAGRHCHYCKEGY
YRDMGKPITHRKACKACDCHPVGAAGKTCNQTTGQCPCKDGVTGITCNRC
AKGYQQSRSPIAPC
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 chain7ne1 Chain A Residue 504 [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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PDB7ne1 Simultaneous binding of Guidance Cues NET1 and RGM blocks extracellular NEO1 signaling.
Resolution3.15 Å
Binding residue
(original residue number in PDB)		F107 D110 T118 S277
Binding residue
(residue number reindexed from 1)		F70 D73 T81 S240
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7ne1, PDBe:7ne1, PDBj:7ne1
PDBsum7ne1
PubMed33740419
UniProtO95631|NET1_HUMAN Netrin-1 (Gene Name=NTN1)

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