Structure of PDB 8frr Chain A Binding Site BS01

Receptor Information
>8frr Chain A (length=259) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GCGELVWVGEPLTLRTAETITGKYGVWMRDPKPTYPYTQETTWRIDTVGT
DVRQVFEYDLISQFMQGYPSKVHILPRPLESTGAVVYSGSLYFQGAESRT
VIRYELNTETVKAEKEIPGAGYHGQFPYSWGGYTDIDLAVDEAGLWVIYS
TDEAKGAIVLSKLNPENLELEQTWETNIRKQSVANAFIICGTLYTVSSYT
SADATVNFAYDTGTGISKTLTIPFKNRYKYSSMIDYNPLEKKLFAWDNLN
MVTYDIKLS
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 chain8frr Chain A Residue 602 [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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PDB8frr Competition between inside-out unfolding and pathogenic aggregation in an amyloid-forming beta-propeller.
Resolution1.27 Å
Binding residue
(original residue number in PDB)		D380 N428 A429 I477 D478
Binding residue
(residue number reindexed from 1)		D137 N185 A186 I234 D235
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8frr, PDBe:8frr, PDBj:8frr
PDBsum8frr
PubMed38168102
UniProtQ99972|MYOC_HUMAN Myocilin (Gene Name=MYOC)

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