Structure of PDB 5neu Chain B Binding Site BS01

Receptor Information
>5neu Chain B (length=448) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GCALGGTCEDCLLIGPQCAWCARCDTPCQLNFIENPVSQVEILKNKPLSV
GRQKNSSDIVQIAPQSLILKLRPGGAQTLQVHVRQTEDYPVDLYYLMDLS
ASMDDDLNTIKELGSRLSKEMSKLTSNFRLGFGSFVEKPVSPFVKTTPEE
IANPCSSIPYFCLPTFGFKHILPLTNDAERFNEIVKNQKISANIDTPEGG
FDAIMQAAVCKEKIGWRNDSLHLLVFVSDADSHFGMDSKLAGIVCPNDGL
CHLDSKNEYSMSTVLEYPTIGQLIDKLVQNNVLLIFAVTQEQVHLYENYA
KLIPGATVGLLQKDSGNILQLIISAYEELRSEVELEVLGDTEGLNLSFTA
ICNNGTLFQHQKKCSHMKVGDTASFSVTVNIPHCERRSRHIIIKPVGLGD
ALELLVSPECNCDCQKVEVNSSKCHNGNGSFQCGVCACHPGHMGPRCE
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain5neu Chain 1 Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5neu Rules of engagement between alpha v beta 6 integrin and foot-and-mouth disease virus.
Resolution12.3 Å
Binding residue
(original residue number in PDB)		D102 S104 E202
Binding residue
(residue number reindexed from 1)		D98 S100 E198
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5neu, PDBe:5neu, PDBj:5neu
PDBsum5neu
PubMed28534487
UniProtP18564|ITB6_HUMAN Integrin beta-6 (Gene Name=ITGB6)

[Back to BioLiP]