Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

7G5I

Crystal Structure of rat Autotaxin in complex with rac-(E)-1-[rac-(3aR,8aS)-2-(1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-6-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one, i.e. SMILES C1C[C@@H]2[C@H](CCN1C(=O)/C=C/c1ccc(cc1)OC(F)(F)F)CN(C2)C(=O)N1CCC2=C(C1)C=NN2 with IC50=1.45741 microM

Resources

File format		File name (file size)
PDBx/mmCIF		7g5i.cif.gz Display(196.15 KB) 7g5i.cif
PDBx/mmJSON	all	7g5i.json.gz Display (Tree)(132.04 KB) 7g5i.json
	no-atom	7g5i-noatom.json.gz Display (Header)(27.11 KB) 7g5i-noatom.json
	add only	7g5i-plus.json.gz Display(1.85 KB) 7g5i-plus.json
PDBML	all	7g5i.xml.gz Display(262.67 KB) 7g5i.xml
	no-atom	7g5i-noatom.xml.gz Display(51.58 KB) 7g5i-noatom.xml
	ext-atom	7g5i-extatom.xml.gz Display(159.31 KB) 7g5i-extatom.xml
pdb_nextgen	all	pdb_00007g5i_xyz-enrich.cif.gz Display(215.29 KB) pdb_00007g5i_xyz-enrich.cif
	no-atom	pdb_00007g5i_xyz-no-atom-enrich.xml.gz Display(61.72 KB) pdb_00007g5i_xyz-no-atom-enrich.xml
	ng-only	7g5i-plus.json.gz Display(4.71 KB) 7g5i-plus.json
PDB		pdb7g5i.ent.gz Display(149.33 KB) pdb7g5i.ent
RDF		7g5i.rdf.gz Visualize(146.51 KB) 7g5i.rdf
Structure factors		r7g5isf.ent.gz Display(7.11 MB) r7g5isf.ent
Biological unit (mmCIF format)		7g5i-assembly1.cif.gz Display(182.08 KB) 7g5i-assembly1.cif (A) *author and software defined assembly, 1 molecule(s) (monomeric)
Biological unit (PDB format)		7g5i.pdb1.gz Display(142.64 KB) 7g5i.pdb1 (A) *author and software defined assembly, 1 molecule(s) (monomeric)
Validation reports	PDF	7g5i_validation.pdf.gz Display(1.05 MB) 7g5i_validation.pdf
	PDF-full	7g5i_full_validation.pdf.gz Display(1.06 MB) 7g5i_full_validation.pdf
	mmCIF	7g5i_validation.cif.gz Display(56.30 KB) 7g5i_validation.cif
	XML	7g5i_validation.xml.gz Display(39.93 KB) 7g5i_validation.xml
	PNG	7g5i_multipercentile_validation.png.gz Display(170.27 KB) 7g5i_multipercentile_validation.png
	SVG	7g5i_multipercentile_validation.svg.gz Display(976.00 B) 7g5i_multipercentile_validation.svg
EDMap	2fo-fc (PDBx/mmCIF)	7g5i_validation_2fo-fc_map_coef.cif.gz Display(671.99 KB) 7g5i_validation_2fo-fc_map_coef.cif
	fo-fc (PDBx/mmCIF)	7g5i_validation_fo-fc_map_coef.cif.gz Display(670.24 KB) 7g5i_validation_fo-fc_map_coef.cif
	2fo-fc (MTZ)	7g5i_validation_2fo-fc_map_coef.mtz Visualize(1.07 MB)
	fo-fc (MTZ)	7g5i_validation_fo-fc_map_coef.mtz Visualize(1.07 MB)

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)