Structure of PDB 3ud9 Chain B Binding Site BS02

Receptor Information
>3ud9 Chain B (length=128) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPKLLYCSNGGHFLRILPDGTVDGTRDRSDQHIQLQLSAESVGEVYIKST
ETGQYLAMDTDGLLYGSQTPNEECLFLERLEENHYNTYISKKHAEKNWFV
GLKKNGSCKRGPRTHYGQKAILFLPLPV
Ligand information
Ligand IDSGN
InChIInChI=1S/C6H13NO11S2/c8-4-2(1-17-20(14,15)16)18-6(10)3(5(4)9)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6+/m1/s1
InChIKeyDQTRACMFIGDHSN-UKFBFLRUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O
CACTVS 3.341O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1N[S](O)(=O)=O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O
ACDLabs 10.04O=S(=O)(O)OCC1OC(O)C(NS(=O)(=O)O)C(O)C1O
CACTVS 3.341O[C@H]1O[C@H](CO[S](O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1N[S](O)(=O)=O
FormulaC6 H13 N O11 S2
Name2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose;
N,O6-DISULFO-GLUCOSAMINE;
6-O-sulfo-N-sulfo-alpha-D-glucosamine;
2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucose;
2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucose;
2-deoxy-6-O-sulfo-2-(sulfoamino)-glucose
ChEMBL
DrugBankDB03959
ZINC
PDB chain3ud9 Chain D 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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PDB3ud9 Divergent synthesis of 48 heparan sulfate-based disaccharides and probing the specific sugar-fibroblast growth factor-1 interaction
Resolution2.34 Å
Binding residue
(original residue number in PDB)		N18 K112 K113 K118
Binding residue
(residue number reindexed from 1)		N9 K103 K104 K109
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=4.67,Kd=21.2uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005104 fibroblast growth factor receptor binding
GO:0005178 integrin binding
GO:0005515 protein binding
GO:0008083 growth factor activity
GO:0008201 heparin binding
GO:0030544 Hsp70 protein binding
GO:0044548 S100 protein binding
Biological Process
GO:0001525 angiogenesis
GO:0001759 organ induction
GO:0007165 signal transduction
GO:0008284 positive regulation of cell population proliferation
GO:0008543 fibroblast growth factor receptor signaling pathway
GO:0009653 anatomical structure morphogenesis
GO:0009887 animal organ morphogenesis
GO:0010595 positive regulation of endothelial cell migration
GO:0010628 positive regulation of gene expression
GO:0030154 cell differentiation
GO:0030324 lung development
GO:0030334 regulation of cell migration
GO:0030335 positive regulation of cell migration
GO:0032148 activation of protein kinase B activity
GO:0034605 cellular response to heat
GO:0042060 wound healing
GO:0043406 positive regulation of MAP kinase activity
GO:0045542 positive regulation of cholesterol biosynthetic process
GO:0045766 positive regulation of angiogenesis
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0050673 epithelial cell proliferation
GO:0050679 positive regulation of epithelial cell proliferation
GO:0051781 positive regulation of cell division
GO:0060681 branch elongation involved in ureteric bud branching
GO:0070374 positive regulation of ERK1 and ERK2 cascade
GO:0072163 mesonephric epithelium development
GO:1901509 regulation of endothelial tube morphogenesis
GO:1902533 positive regulation of intracellular signal transduction
GO:1903672 positive regulation of sprouting angiogenesis
GO:2000347 positive regulation of hepatocyte proliferation
GO:2000544 regulation of endothelial cell chemotaxis to fibroblast growth factor
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005938 cell cortex
GO:0031012 extracellular matrix

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3ud9, PDBe:3ud9, PDBj:3ud9
PDBsum3ud9
PubMed23240683
UniProtP05230|FGF1_HUMAN Fibroblast growth factor 1 (Gene Name=FGF1)

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