Structure of PDB 4r9w Chain B Binding Site BS01

Receptor Information
>4r9w Chain B (length=64) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLQCLCVKTTSQVRPRHITSLEVIKAGPHCPTAQLIATLKNGRKICLDLQ
APLYKKIIKKLLES
Ligand information
Ligand IDIDS
InChIInChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2-,3+,4+,6+/m0/s1
InChIKeyCOJBCAMFZDFGFK-VCSGLWQLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1(C(C(OC(C1OS(=O)(=O)O)O)C(=O)O)O)O
OpenEye OEToolkits 1.5.0[C@@H]1([C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O)O
CACTVS 3.341O[CH]1O[CH]([CH](O)[CH](O)[CH]1O[S](O)(=O)=O)C(O)=O
CACTVS 3.341O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@H]1O[S](O)(=O)=O)C(O)=O
ACDLabs 10.04O=S(=O)(OC1C(O)C(O)C(OC1O)C(=O)O)O
FormulaC6 H10 O10 S
Name2-O-sulfo-alpha-L-idopyranuronic acid;
O2-SULFO-GLUCURONIC ACID;
2-O-sulfo-alpha-L-iduronic acid;
2-O-sulfo-L-iduronic acid;
2-O-sulfo-iduronic acid
ChEMBL
DrugBankDB02264
ZINCZINC000004096028
PDB chain4r9w Chain C 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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PDB4r9w Atomic description of the immune complex involved in heparin-induced thrombocytopenia.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		R122 K146
Binding residue
(residue number reindexed from 1)		R16 K40
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005125 cytokine activity
GO:0005515 protein binding
GO:0008009 chemokine activity
GO:0008201 heparin binding
GO:0045236 CXCR chemokine receptor binding
GO:0048018 receptor ligand activity
GO:0048248 CXCR3 chemokine receptor binding
Biological Process
GO:0002548 monocyte chemotaxis
GO:0006935 chemotaxis
GO:0006952 defense response
GO:0006954 inflammatory response
GO:0006955 immune response
GO:0007189 adenylate cyclase-activating G protein-coupled receptor signaling pathway
GO:0010628 positive regulation of gene expression
GO:0010744 positive regulation of macrophage derived foam cell differentiation
GO:0016525 negative regulation of angiogenesis
GO:0019221 cytokine-mediated signaling pathway
GO:0030168 platelet activation
GO:0030195 negative regulation of blood coagulation
GO:0030593 neutrophil chemotaxis
GO:0030595 leukocyte chemotaxis
GO:0032760 positive regulation of tumor necrosis factor production
GO:0042127 regulation of cell population proliferation
GO:0042832 defense response to protozoan
GO:0045347 negative regulation of MHC class II biosynthetic process
GO:0045651 positive regulation of macrophage differentiation
GO:0045653 negative regulation of megakaryocyte differentiation
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0051873 killing by host of symbiont cells
GO:0061844 antimicrobial humoral immune response mediated by antimicrobial peptide
GO:0070098 chemokine-mediated signaling pathway
GO:0071222 cellular response to lipopolysaccharide
GO:2001240 negative regulation of extrinsic apoptotic signaling pathway in absence of ligand
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005737 cytoplasm
GO:0031093 platelet alpha granule lumen
GO:0062023 collagen-containing extracellular matrix

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4r9w, PDBe:4r9w, PDBj:4r9w
PDBsum4r9w
PubMed26391892
UniProtP02776|PLF4_HUMAN Platelet factor 4 (Gene Name=PF4)

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