5ZO8

Eg5 motor domain in complex with STLC-type inhibitor PVEI0021 (P21 type)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Kinesin-like protein KIF11	polymer	367	41300.9	2	UniProt (P52732) Pfam (PF00225)	Homo sapiens (Human)	Kinesin-like protein 1,Kinesin-like spindle protein HKSP,Kinesin-related motor protein Eg5,Thyroid receptor-interacting protein 5,TRIP-5
2	C, I (A, B)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	2	Chemie (ADP)
3	D, J (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	E, K (A, B)	(2R)-2-azanyl-3-[(4-methoxyphenyl)-diphenyl-methyl]sulfanyl-propanoic acid	non-polymer		393.5	2	Chemie (4C5)
5	F, G, L, M (A, B)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
6	H, N (A, B)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
7	O, P (A, B)	water	water		18.0	107	Chemie (HOH)

Sequence modifications

A, B: 17 - 369 (UniProt: P52732)

PDB	External Database	Details
Met 10	-	expression tag
Asn 11	-	expression tag
His 12	-	expression tag
Lys 13	-	expression tag
Val 14	-	expression tag
His 15	-	expression tag
Met 16	-	expression tag
Gln 370	-	expression tag
His 371	-	expression tag
His 372	-	expression tag
His 373	-	expression tag
His 374	-	expression tag
His 375	-	expression tag
His 376	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	82601.8
Non-Polymers*	Number of molecules	12
	Total formula weight	2120.2
All*	Total formula weight	84722.1

*Water molecules are not included.