Structure of PDB 8tcf Chain B Binding Site BS01

Receptor Information
>8tcf Chain B (length=359) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VHVIIPTENEINTQVTPGEVSIQLRPGAEANFMLKVHPLKKYPVDLYYLV
DVSASMHNNIEKLNSVGNDLSRKMAFFSRDFRLGFGSYVDKTVSPYISIH
PERIHNQCSDYNLDCMPPHGYIHVLSLTENITEFEKAVHRQKISGNIDTP
EGGFDAMLQAAVCESHIGWRKEAKRLLLVMTDQTSHLALDSKLAGIVCPN
DGNCHLKNNVYVKSTTMEHPSLGQLSEKLIDNNINVIFAVQGKQFHWYKD
LLPLLPGTIAGEIESKAANLNNLVVEAYQKLISEVKVQVENQVQGIYFNI
TAICPDGSRKPGMEGCRNVTSNDEVLFNVTVTMKKCDNYAIIKPIGFNET
AKIHIHRNC
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 chain8tcf Chain B 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]
PDB8tcf De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		D151 N207 D209 P211 E212
Binding residue
(residue number reindexed from 1)		D90 N146 D148 P150 E151
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8tcf, PDBe:8tcf, PDBj:8tcf
PDBsum8tcf
PubMed37704610
UniProtP26012|ITB8_HUMAN Integrin beta-8 (Gene Name=ITGB8)

[Back to BioLiP]