9IEX

Human Deoxyhypusine Synthase Fragment Screening Campaign - VT0155 follow-up ligand DMP7

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	Deoxyhypusine synthase	polymer	397	44154.0	2	UniProt (P49366)	Homo sapiens (human)	DHS
2	B, D (B, D)	Deoxyhypusine synthase	polymer	397	44136.0	2	UniProt (P49366)	Homo sapiens (human)	DHS
3	E, F (A, B)	6-[2-oxidanylidene-2-(11-oxidanylidene-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl)ethyl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-one	non-polymer		386.4	2	Chemie (A1I7E)
4	G, H, I, J (A, B, C, D)	water	water		18.0	551	Chemie (HOH)

Sequence modifications

A, C: 1 - 369 (UniProt: P49366)

PDB	External Database	Details
Gly 370	-	expression tag
Gly 371	-	expression tag
Val 372	-	expression tag
Glu 373	-	expression tag
Glu 374	-	expression tag
Asp 375	-	expression tag
Leu 376	-	expression tag
Ile 377	-	expression tag
Lys 378	-	expression tag
Cys 379	-	expression tag
Leu 380	-	expression tag
Ala 381	-	expression tag
Pro 382	-	expression tag
Thr 383	-	expression tag
Tyr 384	-	expression tag
Leu 385	-	expression tag
Gly 386	-	expression tag
Glu 387	-	expression tag
Phe 388	-	expression tag
Ser 389	-	expression tag
Leu 390	-	expression tag
Arg 391	-	expression tag
Gly 392	-	expression tag
Lys 393	-	expression tag
Glu 394	-	expression tag
Leu 395	-	expression tag
Arg 396	-	expression tag
Glu 397	-	expression tag

B, D: 1 - 369 (UniProt: P49366)

PDB	External Database	Details
Unk 275	Cys 275	conflict
Gly 370	-	expression tag
Gly 371	-	expression tag
Val 372	-	expression tag
Glu 373	-	expression tag
Glu 374	-	expression tag
Asp 375	-	expression tag
Leu 376	-	expression tag
Ile 377	-	expression tag
Lys 378	-	expression tag
Cys 379	-	expression tag
Leu 380	-	expression tag
Ala 381	-	expression tag
Pro 382	-	expression tag
Thr 383	-	expression tag
Tyr 384	-	expression tag
Leu 385	-	expression tag
Gly 386	-	expression tag
Glu 387	-	expression tag
Phe 388	-	expression tag
Ser 389	-	expression tag
Leu 390	-	expression tag
Arg 391	-	expression tag
Gly 392	-	expression tag
Lys 393	-	expression tag
Glu 394	-	expression tag
Leu 395	-	expression tag
Arg 396	-	expression tag
Glu 397	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	176580.1
Non-Polymers*	Number of molecules	2
	Total formula weight	772.9
All*	Total formula weight	177353.0

*Water molecules are not included.