Structure of PDB 5neu Chain B Binding Site BS03

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 ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

5neu Chain B Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5neu Rules of engagement between alpha v beta 6 integrin and foot-and-mouth disease virus.
Resolution	12.3 Å
Binding residue (original residue number in PDB)	D109 D110 K317 D318 S319
Binding residue (residue number reindexed from 1)	D105 D106 K313 D314 S315
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:5neu, PDBe:5neu, PDBj:5neu
PDBsum	5neu
PubMed	28534487
UniProt	P18564\|ITB6_HUMAN Integrin beta-6 (Gene Name=ITGB6)

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