Structure of PDB 4r12 Chain A Binding Site BS01

Receptor Information
>4r12 Chain A (length=573) Species: 5786 (Dictyostelium purpureum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YTTLYSSYPCTKIMTSDGQFGCSSKHGGNSGILYLIDDDESYNNYFSYSQ
QKDIIVVLDTNYFNSTSVLNLHNKSKIEGIIVLTDTKKTYPYSPDSRYPN
KIYGLYPNSNLEWNPNADGFTYFSFPFPIFAIDNQTSVAIRNVSKHNRDG
QYPAWGAELDSFMQGAINSETCLRRGFCEPVGGQSIWSSFSSKIDKEKEI
ILVMLPFDTTAFFRDLSIGADQSSFATVTLLSVIKSLAAVDRSSWNKEVV
FAFWNAERWGYVGSEYFINDLLNFQCKTYNSDKSKCIDPPRADLAFQTQI
NFTKISTIIELNQIGRAQLDKNLGKYSLYLHTAGTKTSSVTDILDQVASS
YENSTITFKPTTQTELPPSSSMSFLKKTNKIPVVVITDHDYKYSNPYYGY
EQDDNENVLGSTLNDIVYILSTFIDRIAGGNNNITIDKNFINILYPCFTS
SITCFNILMKTYPLNEVPNFYSSVFGTSLTTTLSPYETKLIHRLLYSITQ
YNSTLTNCTSDNDCPSSLCYSGQCVSSNTHLHNALSLGFDFDTSKNVWKI
VNSSYPIFTESNWDYTALKVFKI
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 chain4r12 Chain A Residue 809 [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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PDB4r12 Crystal structure of the gamma-secretase component nicastrin.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		D543 C546 S549
Binding residue
(residue number reindexed from 1)		D511 C514 S517
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0016485 protein processing
Cellular Component
GO:0016020 membrane

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4r12, PDBe:4r12, PDBj:4r12
PDBsum4r12
PubMed25197054
UniProtF0ZBA6|NICA_DICPU Nicastrin (Gene Name=ncstn)

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