9RAK

E-selectin complexed with glycomimetic ligand GMI-1077

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, B (A, B)	E-selectin	polymer	280	31305.8	2	UniProt (P16581) Pfam (PF00059) Pfam (PF00008) Pfam (PF00084)	Homo sapiens (human)	CD62 antigen-like family member E,Endothelial leukocyte adhesion molecule 1,ELAM-1,Leukocyte-endothelial cell adhesion molecule 2,LECAM2
2	C, D, E, F, G... (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	11	Chemie (NAG) PubChem (24139)
3	H, Q (A, B)	(2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R},3~{S})-3-methyl-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-cyclohexyl]oxy-3-oxidanyl-5-(phenylcarbonyloxy)oxan-4-yl]oxy-propanoic acid	non-polymer		696.8	2	Chemie (A1JDT)
4	I, R (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA) PubChem (271)
5	J, S (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL) PubChem (312)
6	T, U (A, B)	water	water		18.0	589	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	62611.5
Non-Polymers*	Number of molecules	17
	Total formula weight	3977.9
All*	Total formula weight	66589.4

*Water molecules are not included.