Structure of PDB 3czt Chain X Binding Site BS03

Receptor Information
>3czt Chain X (length=91) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSELEKAMVALIDVFHQYSGREGDKHKLKKSELKELINNELSHFLEEIKE
QEVVDKVMETLDNDGDGECDFQEFMAFVAMVTTACHEFFEH
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 chain3czt Chain X Residue 95 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3czt The crystal structures of human S100B in the zinc- and calcium-loaded state at three pH values reveal zinc ligand swapping.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		H85 H90
Binding residue
(residue number reindexed from 1)		H86 H91
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
GO:0044548 S100 protein binding
GO:0046872 metal ion binding
GO:0048156 tau protein binding
GO:0048306 calcium-dependent protein binding
GO:0050786 RAGE receptor binding
Biological Process
GO:0007155 cell adhesion
GO:0007409 axonogenesis
GO:0007417 central nervous system development
GO:0007611 learning or memory
GO:0007613 memory
GO:0008284 positive regulation of cell population proliferation
GO:0043123 positive regulation of canonical NF-kappaB signal transduction
GO:0045666 positive regulation of neuron differentiation
GO:0048168 regulation of neuronal synaptic plasticity
GO:0097490 sympathetic neuron projection extension
GO:1990138 neuron projection extension
GO:1990845 adaptive thermogenesis
Cellular Component
GO:0001726 ruffle
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0043025 neuronal cell body
GO:0043231 intracellular membrane-bounded organelle
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:3czt, PDBe:3czt, PDBj:3czt
PDBsum3czt
PubMed20950652
UniProtP04271|S100B_HUMAN Protein S100-B (Gene Name=S100B)

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