6RXC

Leishmania major pteridine reductase 1 (LmPTR1) in complex with inhibitor 4 (NMT-C0026)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	Pteridine reductase 1	polymer	291	30722.8	2	UniProt (Q01782) Pfam (PF13561) In PDB	Leishmania major	H region methotrexate resistance protein
2	B, D	Pteridine reductase 1	polymer	291	30738.8	2	UniProt (Q01782) Pfam (PF13561) In PDB	Leishmania major	H region methotrexate resistance protein
3	A, B, C, D	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	4	Chemie (NDP)
4	A, B, C, D	methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-(3-oxidanylpropyl)amino]phenyl]carbonylpiperidine-4-carboxylate	non-polymer		494.5	4	Chemie (KMK)
5		water	water		18.0	651	Chemie (HOH)

Sequence modifications

A, C: 1 - 288 (UniProt: Q01782)

PDB	External Database	Details
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Val 162	Phe 162	conflict

B, D: 1 - 288 (UniProt: Q01782)

PDB	External Database	Details
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Val 162	Phe 162	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	122923.4
Non-Polymers*	Number of molecules	8
	Total formula weight	4959.9
All*	Total formula weight	127883.3

*Water molecules are not included.