4LY9

Human GKRP complexed to AMG-1694 [(2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol] and sorbitol-6-phosphate

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)	Glucokinase regulatory protein	polymer	637	70249.6	2	UniProt (Q14397) Pfam (PF22645) Pfam (PF22198) Pfam (PF20741)	Homo sapiens (human)	Glucokinase regulator
2	AA, BA, C, CA, D... (B, A)	IODIDE ION	non-polymer		126.9	26	Chemie (IOD)
3	FA, O (B, A)	D-SORBITOL-6-PHOSPHATE	non-polymer		262.2	2	Chemie (S6P)
4	GA, P (B, A)	(2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol	non-polymer		533.6	2	Chemie (1YY)
5	HA, Q (B, A)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
6	IA, JA (B)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
7	KA, LA (A, B)	water	water		18.0	139	Chemie (HOH)

Sequence modifications

A, B: 1 - 625 (UniProt: Q14397)

PDB	External Database	Details
Met -11	-	expression tag
Ala -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
Asp -3	-	expression tag
Glu -2	-	expression tag
Val -1	-	expression tag
Asp 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	140499.1
Non-Polymers*	Number of molecules	34
	Total formula weight	5267.4
All*	Total formula weight	145766.5

*Water molecules are not included.