Structure of PDB 5ue8 Chain B Binding Site BS01

Receptor Information
>5ue8 Chain B (length=838) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NEELKNHVYKKTLQALIYPISCTTPHNFEVWTATTPTYCYECEGLLWGIA
RQGMRCTECGVKCHEKCQDLLNADCLQRAAEKSSDRTQNIIMVLKDRMKI
RERNKPEIFELIQEVFAVTKSAHTQQMKAVKQSVLDGTSKWSAKISITVV
CAQGLQSSDPYVTVQVGKTKKRTKTIYGNLNPVWEENFHFNSSDRIKVRV
WDEDDFLGQTIIEVRTLSGEMDVWYNLDKRVSGAIRLHISVEIVAPYHVQ
YTCLHENLFHFVTDVQNNGVVKIPDAKGDDAWKVYYDETAQEIVDEFAMR
YGVESIYQAMTHFACLSSKYMCPGVPAVMSTLLANINAYYAHTVSASDRF
AASNFGKERFVKLLDQLHNSLRIDLSMYRNNFPASSPERLQDLKSTVDLL
TSITFFRMKVQELQSPPRASQVVKDCVKACLNSTYEYIFNNCHELYGREY
QQGPSIKNLDFWSKLITLIVSIIEEDKNSYTPCLNQFPQELNVGKISAEV
MWSLFAQDMKYAMEEHDKHRLCKSADYMNLHFKVKWLYNEYVAELPTFKD
RVPEYPAWFEPFVIQWLDENEEVSRDFLHGALERDKKDGFQQTSEHALFS
CSVVDVFSQLNQSFEIIKKLECPDPQIVGHYMRRFAKTISNVLLQYADIV
SKDFASYCSKEKEKVPCILMNNTQQLRVQLEKMFEAMGGKELDAEASGTL
KELQVKLNNVLDELSHVFATSFQPHIEECVRQMGDILSVAQDADNVLQPI
MDLLDSNLTLFAKICEKTVLKRVLKELWKLVMNTMERTIVTPKQCAVVEL
ALDTIKQYFHAGGVGLKKTFLEKSPDLQSLRYALSLYT
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5ue8 Chain B Residue 1602 [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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PDB5ue8 Mechanistic insights into neurotransmitter release and presynaptic plasticity from the crystal structure of Munc13-1 C1C2BMUN.
Resolution3.35 Å
Binding residue
(original residue number in PDB)		C580 H605 C608
Binding residue
(residue number reindexed from 1)		C39 H64 C67
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0005543 phospholipid binding
GO:0019992 diacylglycerol binding
Biological Process
GO:0007268 chemical synaptic transmission

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Molecular Function
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Biological Process
External links
PDB RCSB:5ue8, PDBe:5ue8, PDBj:5ue8
PDBsum5ue8
PubMed28177287
UniProtQ62768|UN13A_RAT Protein unc-13 homolog A (Gene Name=Unc13a)

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