Structure of PDB 4oef Chain A Binding Site BS01

Receptor Information

>4oef Chain A (length=125) Species: 9606 (Homo sapiens)

DPKRLYCKNGGFFLRIHPDGRVDGVREKSDPHIKLQLQAEERGVVSIKGV
SANRYLAMKEDGRLLASKSVTDECFFFERLESNNYNTYRSRKYTSWYVAL
KRTGQYKLGSKTGPGQKAILFLPMS

Ligand information

• Ligand ID: IDY
• InChI: InChI=1S/C7H12O10S/c1-15-7-5(17-18(12,13)14)3(9)2(8)4(16-7)6(10)11/h2-5,7-9H,1H3,(H,10,11)(H,12,13,14)/t2-,3-,4+,5+,7+/m0/s1
• InChIKey: OBWAEUUFHKKIQN-QVVHOTIMSA-N
• SMILES:
  CACTVS 3.370: CO[CH]1O[CH]([CH](O)[CH](O)[CH]1O[S](O)(=O)=O)C(O)=O
  OpenEye OEToolkits 1.7.2: CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O)OS(=O)(=O)O
  CACTVS 3.370: CO[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@H]1O[S](O)(=O)=O)C(O)=O
  OpenEye OEToolkits 1.7.2: COC1C(C(C(C(O1)C(=O)O)O)O)OS(=O)(=O)O
  ACDLabs 12.01: O=C(O)C1OC(OC)C(OS(=O)(=O)O)C(O)C1O
• Formula: C7 H12 O10 S
• Name: 1-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid;
  methyl 2-O-sulfo-alpha-L-idopyranosiduronic acid;
  1-O-methyl-2-O-sulfo-alpha-L-iduronic acid;
  1-O-methyl-2-O-sulfo-L-iduronic acid;
  1-O-methyl-2-O-sulfo-iduronic acid
• ZINC: ZINC000098209021
• PDB chain: 4oef Chain B Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4oef Interactions that influence the binding of synthetic heparan sulfate based disaccharides to fibroblast growth factor-2.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): N27 R120 Q134 K135 A136
• Binding residue (residue number reindexed from 1): N9 R102 Q116 K117 A118
• Annotation score: 1
• Binding affinity: PDBbind-CN: -logKd/Ki=4.76,Kd=17.5uM

Gene Ontology

Molecular Function

• GO:0008083 growth factor activity

External links

• PDB: RCSB:4oef, PDBe:4oef, PDBj:4oef
• PDBsum: 4oef
• PubMed: 24959968
• UniProt: P09038|FGF2_HUMAN Fibroblast growth factor 2 (Gene Name=FGF2)