6LKE

in meso full-length rat KMO in complex with an inhibitor identified via DNA-encoded chemical library screening

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)	Kynurenine 3-monooxygenase	polymer	495	56419.2	2	UniProt (O88867) Pfam (PF01494)	Rattus norvegicus (Rat)	Kynurenine 3-hydroxylase
2	C, G (A, B)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	2	Chemie (FAD)
3	D, H (A, B)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4	E, I (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
5	F, J (A, B)	4-chloranyl-2-[[5-chloranyl-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-1,3-thiazol-4-yl]carbonyl-methyl-amino]-5-fluoranyl-benzoic acid	non-polymer		496.3	2	Chemie (EGU)
6	K, L (A, B)	water	water		18.0	6	Chemie (HOH)

Sequence modifications

A, B: 1 - 478 (UniProt: O88867)

PDB	External Database	Details
Gly -1	-	expression tag
Ser 0	-	expression tag
Glu 479	-	expression tag
Asn 480	-	expression tag
Leu 481	-	expression tag
Tyr 482	-	expression tag
Phe 483	-	expression tag
Gln 484	-	expression tag
Gly 485	-	expression tag
Asp 486	-	expression tag
Tyr 487	-	expression tag
Lys 488	-	expression tag
Asp 489	-	expression tag
Asp 490	-	expression tag
Asp 491	-	expression tag
Asp 492	-	expression tag
Lys 493	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	112838.5
Non-Polymers*	Number of molecules	8
	Total formula weight	2826.8
All*	Total formula weight	115665.3

*Water molecules are not included.