6OHR

Structure of compound 5 bound human Phospholipase D1 catalytic domain

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E...	Phospholipase D1, chimeric constuct	polymer	647	73987.9	6	UniProt (Q13393) Pfam (PF00614) Pfam (PF13091) In PDB	Homo sapiens (Human)	hPLD1,Choline phosphatase 1,Phosphatidylcholine-hydrolyzing phospholipase D1,hPLD1,Choline phosphatase 1,Phosphatidylcholine-hydrolyzing phospholipase D1
2	A, B, C, D, E...	4-fluoro-N-{(2S)-1-[(5R)-5-(3-fluorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl]propan-2-yl}benzamide	non-polymer		443.5	6	Chemie (MKG)

Sequence modifications

A, B, C, D, E, F: 311 - 599 (UniProt: Q13393)

PDB	External Database	Details
Gly 310	-	expression tag
Gly 580	Val 500	linker
Ser 581	Lys 501	linker
Gly 582	Arg 502	linker
Ser 583	Val 503	linker
Gly 584	Thr 504	linker
Ser 587	Pro 507	linker
Gly 588	Ser 508	linker
Ser 589	Leu 509	linker
Gly 592	Leu 512	linker
Ser 593	Pro 513	linker
Gly 594	Ile 514	linker
Ser 595	Pro 515	linker
Ser 597	Pro 517	linker
Gly 598	-	linker

A, B, C, D, E, F: 601 - 1036 (UniProt: Q13393)

PDB	External Database	Details
His 600	-	linker

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	443927.1
Non-Polymers*	Number of molecules	6
	Total formula weight	2660.9
All*	Total formula weight	446588.0

*Water molecules are not included.