Structure of PDB 4jph Chain B Binding Site BS01

Receptor Information
>4jph Chain B (length=111) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KEVLASSQEALVVTERKYLKSDWCKTQPLRQTVSEEGCRSRTILNRFCYG
QCNSFYIPRHVKKEEDSFQSCAFCKPQRVTSVIVELECPGLDPPFRIKKI
QKVKHCRCMSV
Ligand information
Ligand IDGSH
InChIInChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChIKeyRWSXRVCMGQZWBV-WDSKDSINSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
OpenEye OEToolkits 1.7.6C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
FormulaC10 H17 N3 O6 S
NameGLUTATHIONE
ChEMBLCHEMBL1543
DrugBankDB00143
ZINCZINC000003830891
PDB chain4jph 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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PDB4jph Structure of protein related to dan and cerberus: insights into the mechanism of bone morphogenetic protein antagonism.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		Q118 C120
Binding residue
(residue number reindexed from 1)		Q69 C71
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005125 cytokine activity
GO:0008201 heparin binding
GO:0036122 BMP binding
GO:0042802 identical protein binding
Biological Process
GO:0009966 regulation of signal transduction
GO:0010172 embryonic body morphogenesis
GO:0019221 cytokine-mediated signaling pathway
GO:0030514 negative regulation of BMP signaling pathway
GO:0038098 sequestering of BMP from receptor via BMP binding
GO:0048263 determination of dorsal identity
GO:0060300 regulation of cytokine activity
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4jph, PDBe:4jph, PDBj:4jph
PDBsum4jph
PubMed23850456
UniProtO88273|GREM2_MOUSE Gremlin-2 (Gene Name=Grem2)

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