Structure of PDB 3t6a Chain D Binding Site BS01

Receptor Information

>3t6a Chain D (length=308) Species: 9606 (Homo sapiens)

TVSSFRPNEFESKFLPPENKPLETALLKRAKELFTNNDPKVIAQHVLSMD
CRVARILGVSEEMRRNMGVSSGLELITLPHGHQLRLDIIERHNTMAIGIA
VDILGCTGTLEDRAATLSKIIQVAVELKDSMGDLYSFSALMKALEMPQIT
RLEKTWTALRHQYTQTAILYEKQLKPFSKLLHEGRESTCVPPNNVSVPLL
MPLVTLMERQAVTFEGTDMWEKNDQSCEIMLNHLATARFMAEAADSYRMN
AERILAGFQPDEEMNEICKTEFQMRLLWGSKGAQVNQTERYEKFNQILTA
LSRKLEPP

Ligand information

• Ligand ID: POG
• InChI: InChI=1S/C21H44O8/c1-15(23)9-24-17(3)11-26-19(5)13-28-21(7)14-29-20(6)12-27-18(4)10-25-16(2)8-22/h15-23H,8-14H2,1-7H3/t15-,16?,17?,18?,19?,20?,21?/m1/s1
• InChIKey: OWRNLGZKEZSHGO-QAWAPDBNSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C[C@H](CO)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@@H](C)O
  CACTVS 3.341: C[C@@H](O)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)CO
  OpenEye OEToolkits 1.5.0: CC(CO)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O
  ACDLabs 10.04: O(CC(O)C)C(COC(C)COC(C)COC(C)COC(C)COC(C)CO)C
  CACTVS 3.341: C[CH](O)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)CO
• Formula: C21 H44 O8
• Name: (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL;
  POLYPROPYLENE GLYCOL;
  HEPTAPROPYLENE GLYCOL
• PDB chain: 3t6a Chain B Residue 834

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3t6a NSP-Cas protein structures reveal a promiscuous interaction module in cell signaling.
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): S697 N742
• Binding residue (residue number reindexed from 1): S187 N232
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0005085 guanyl-nucleotide exchange factor activity

Biological Process

• GO:0007264 small GTPase-mediated signal transduction

External links

• PDB: RCSB:3t6a, PDBe:3t6a, PDBj:3t6a
• PDBsum: 3t6a
• PubMed: 22081014
• UniProt: O75815|BCAR3_HUMAN Breast cancer anti-estrogen resistance protein 3 (Gene Name=BCAR3)