6LIN

Crystal structure of human PDK2 complexed with GM10030

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	[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial	polymer	411	46335.7	4	UniProt (Q15119) Pfam (PF10436) Pfam (PF02518) In PDB	Homo sapiens (Human)	Pyruvate dehydrogenase kinase 2,Pyruvate dehydrogenase kinase isoform 2,PDKII
2	A, B	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
3	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
4	A, B, C, D	4-[[[4-[3,5-bis(fluoranyl)-4-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]-5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]benzoic acid	non-polymer		602.9	4	Chemie (EH0)
5	C	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
6		water	water		18.0	150	Chemie (HOH)

Sequence modifications

A, B, C, D: 6 - 386 (UniProt: Q15119)

PDB	External Database	Details
Met -24	-	expression tag
Ala -23	-	expression tag
Gly -22	-	expression tag
Ser -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
Gly -14	-	expression tag
Met -13	-	expression tag
Ala -12	-	expression tag
Ser -11	-	expression tag
Met -10	-	expression tag
Thr -9	-	expression tag
Gly -8	-	expression tag
Gly -7	-	expression tag
Gln -6	-	expression tag
Gln -5	-	expression tag
Met -4	-	expression tag
Gly -3	-	expression tag
Arg -2	-	expression tag
Ser -1	-	expression tag
Gly 0	-	expression tag
Asp 1	-	expression tag
Asp 2	-	expression tag
Asp 3	-	expression tag
Asp 4	-	expression tag
Lys 5	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	185342.7
Non-Polymers*	Number of molecules	8
	Total formula weight	2802.0
All*	Total formula weight	188144.7

*Water molecules are not included.