9BK2

Crystal structure of Lactate dehydrogenase in complex with 4-((4-(1-methyl-1H-imidazole-2-carbonyl)phenyl)amino)-4-oxo-2-(4-(trifluoromethyl)phenyl)butanoic acid (S-enantiomer, monoclinic P form)

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, C, D (A, B, C, D)	L-lactate dehydrogenase A chain	polymer	352	39119.2	4	UniProt (P00338) Pfam (PF00056) Pfam (PF02866)	Homo sapiens (human)	LDH-A,Cell proliferation-inducing gene 19 protein,LDH muscle subunit,LDH-M,Renal carcinoma antigen NY-REN-59
2	E, I, M, Q (A, B, C, D)	DIMETHYL SULFOXIDE	non-polymer		78.1	4	Chemie (DMS)
3	F (A)	(2S)-4-[4-(1-methyl-1H-imidazole-2-carbonyl)anilino]-4-oxo-2-[4-(trifluoromethyl)phenyl]butanoic acid	non-polymer		445.4	1	Chemie (A1AQ0)
4	G, H, J, K, L... (A, B, C, D)	MALONATE ION	non-polymer		102.0	10	Chemie (MLI)
5	T, U, V, W (A, B, C, D)	water	water		18.0	560	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 331 (UniProt: P00338)

PDB	External Database	Details
Met -20	-	initiating methionine
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
Ser -13	-	expression tag
Thr -12	-	expression tag
Ser -11	-	expression tag
Val -10	-	expression tag
Asp -9	-	expression tag
Leu -8	-	expression tag
Gly -7	-	expression tag
Thr -6	-	expression tag
Glu -5	-	expression tag
Asn -4	-	expression tag
Leu -3	-	expression tag
Tyr -2	-	expression tag
Phe -1	-	expression tag
Gln 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	156476.7
Non-Polymers*	Number of molecules	15
	Total formula weight	1778.4
All*	Total formula weight	158255.1

*Water molecules are not included.