Structure of PDB 4guk Chain B Binding Site BS04

Receptor Information
>4guk Chain B (length=179) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLKPEVVEELTRKTYFTEKEVQQWYKGFIKDCPSGQLDAAGFQKIYKQFF
PFGDPTKFATFVFNVFDENKDGRIEFSEFIQALSVTSRGTLDEKLRWAFK
LYDLDNDGYITRNEMLDIVDAIYQMVGLPEEENTPEKRVDRIFAMMDKNA
DGKLTLQEFQEGSKADPSIVQALSLYDGL
Ligand information
Ligand IDALA
InChIInChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
InChIKeyQNAYBMKLOCPYGJ-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(=O)O)N
CACTVS 3.341C[CH](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)C
CACTVS 3.341C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)O)N
FormulaC3 H7 N O2
NameALANINE
ChEMBLCHEMBL279597
DrugBankDB00160
ZINCZINC000004658553
PDB chain4guk Chain B Residue 205 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4guk new crystal form structure of human NCS1
Resolution1.75 Å
Binding residue
(original residue number in PDB)		S184 L185 L189
Binding residue
(residue number reindexed from 1)		S174 L175 L179
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005245 voltage-gated calcium channel activity
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0008048 calcium sensitive guanylate cyclase activator activity
GO:0046872 metal ion binding
Biological Process
GO:0010975 regulation of neuron projection development
GO:0070588 calcium ion transmembrane transport
Cellular Component
GO:0005737 cytoplasm
GO:0005794 Golgi apparatus
GO:0005886 plasma membrane
GO:0014069 postsynaptic density
GO:0030424 axon
GO:0030425 dendrite
GO:0043231 intracellular membrane-bounded organelle
GO:0045202 synapse
GO:0048471 perinuclear region of cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4guk, PDBe:4guk, PDBj:4guk
PDBsum4guk
PubMed
UniProtP62166|NCS1_HUMAN Neuronal calcium sensor 1 (Gene Name=NCS1)

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