Structure of PDB 3vkf Chain D Binding Site BS01

Receptor Information
>3vkf Chain D (length=177) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGTTYIFSKGGGQITYKWPPNDRPSTRADRLAIGFSTVQKEAVLVRVDSS
SGLGDYLELHIHQGKIGVKFNVGTDDIAIEESNAIINDGKYHVVRFTRSG
GNATLQVDSWPVIERYPAGRQLTIFNSQATIIIGGKEQGQPFQGQLSGLY
YNGLKVLNMAAENDANIAIVGNVRLVG
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 chain3vkf Chain D Residue 2001 [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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PDB3vkf Higher-order architecture of cell adhesion mediated by polymorphic synaptic adhesion molecules neurexin and neuroligin.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		D136 V153 I235 N237
Binding residue
(residue number reindexed from 1)		D55 V72 I124 N126
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3vkf, PDBe:3vkf, PDBj:3vkf
PDBsum3vkf
PubMed22840401
UniProtQ28142|NRX1B_BOVIN Neurexin-1-beta (Gene Name=NRXN1)

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