Structure of PDB 5neu Chain B Binding Site BS02

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 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

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)	E141 N197 D199 P201 E202
Binding residue (residue number reindexed from 1)	E137 N193 D195 P197 E198
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)

[Back to BioLiP]