Structure of PDB 3b3q Chain F Binding Site BS01

Receptor Information
>3b3q Chain F (length=187) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HSAFAADPGHTTYIFSKGGGQITYKWPPNDRPSTRADRLAIGFSTVQKEA
VLVRVDSSSGLGDYLELHIHQGKIGVKFNVGTDDIAIEESNAIINDGKYH
VVRFTRSGGNATLQVDSWPVIERYPAGRQLTIFNSQATIIIGGKEQGQPF
QGQLSGLYYNGLKVLNMAAENDANIAIVGNVRLVGEV
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 chain3b3q Chain F Residue 2 [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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PDB3b3q Structural basis for synaptic adhesion mediated by neuroligin-neurexin interactions.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D137 V154 I236 N238
Binding residue
(residue number reindexed from 1)		D63 V80 I132 N134
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3b3q, PDBe:3b3q, PDBj:3b3q
PDBsum3b3q
PubMed18084303
UniProtP58400|NRX1B_HUMAN Neurexin-1-beta (Gene Name=NRXN1)

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