Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

7G4U

Crystal Structure of rat Autotaxin in complex with (E)-1-[(3aS,8aR)-2-[(5R)-4,5,6,7-tetrahydro-1H-benzotriazole-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)[C@@H]1CCC2=C(C1)N=NN2 with IC50=0.0213266 microM

Resources

File format		File name (file size)
PDBx/mmCIF		7g4u.cif.gz Display(200.09 KB) 7g4u.cif
PDBx/mmJSON	all	7g4u.json.gz Display (Tree)(136.04 KB) 7g4u.json
	no-atom	7g4u-noatom.json.gz Display (Header)(28.50 KB) 7g4u-noatom.json
	add only	7g4u-plus.json.gz Display(1.86 KB) 7g4u-plus.json
PDBML	all	7g4u.xml.gz Display(268.57 KB) 7g4u.xml
	no-atom	7g4u-noatom.xml.gz Display(53.53 KB) 7g4u-noatom.xml
	ext-atom	7g4u-extatom.xml.gz Display(162.30 KB) 7g4u-extatom.xml
pdb_nextgen	all	pdb_00007g4u_xyz-enrich.cif.gz Display(219.83 KB) pdb_00007g4u_xyz-enrich.cif
	no-atom	pdb_00007g4u_xyz-no-atom-enrich.xml.gz Display(63.56 KB) pdb_00007g4u_xyz-no-atom-enrich.xml
	ng-only	7g4u-plus.json.gz Display(4.71 KB) 7g4u-plus.json
PDB		pdb7g4u.ent.gz Display(152.04 KB) pdb7g4u.ent
RDF		7g4u.rdf.gz Visualize(149.62 KB) 7g4u.rdf
Structure factors		r7g4usf.ent.gz Display(12.43 MB) r7g4usf.ent
Biological unit (mmCIF format)		7g4u-assembly1.cif.gz Display(185.70 KB) 7g4u-assembly1.cif (A) *author and software defined assembly, 1 molecule(s) (monomeric)
Biological unit (PDB format)		7g4u.pdb1.gz Display(145.14 KB) 7g4u.pdb1 (A) *author and software defined assembly, 1 molecule(s) (monomeric)
Validation reports	PDF	7g4u_validation.pdf.gz Display(1.06 MB) 7g4u_validation.pdf
	PDF-full	7g4u_full_validation.pdf.gz Display(1.07 MB) 7g4u_full_validation.pdf
	mmCIF	7g4u_validation.cif.gz Display(59.73 KB) 7g4u_validation.cif
	XML	7g4u_validation.xml.gz Display(41.72 KB) 7g4u_validation.xml
	PNG	7g4u_multipercentile_validation.png.gz Display(172.84 KB) 7g4u_multipercentile_validation.png
	SVG	7g4u_multipercentile_validation.svg.gz Display(974.00 B) 7g4u_multipercentile_validation.svg
EDMap	2fo-fc (PDBx/mmCIF)	7g4u_validation_2fo-fc_map_coef.cif.gz Display(1.29 MB) 7g4u_validation_2fo-fc_map_coef.cif
	fo-fc (PDBx/mmCIF)	7g4u_validation_fo-fc_map_coef.cif.gz Display(1.29 MB) 7g4u_validation_fo-fc_map_coef.cif
	2fo-fc (MTZ)	7g4u_validation_2fo-fc_map_coef.mtz Visualize(2.11 MB)
	fo-fc (MTZ)	7g4u_validation_fo-fc_map_coef.mtz Visualize(2.11 MB)

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