3H4V

Selective screening and design to identify inhibitors of leishmania major pteridine reductase 1

Replaces:  2P8K

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, E... (A, B, C, D, E...)	Pteridine reductase 1	polymer	288	30440.6	8	UniProt (Q01782) Pfam (PF00106) Pfam (PF13561)	Leishmania major	H region methotrexate resistance protein
2	I, K, M, O, Q... (A, B, C, D, E...)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	8	Chemie (NAP)
3	J, L, N, P, R... (A, B, C, D, E...)	METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE	non-polymer		436.5	8	Chemie (DVP)
4	AA, BA, CA, DA, EA... (C, D, E, F, G...)	water	water		18.0	1098	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H: 1 - 288 (UniProt: Q01782)

PDB	External Database	Details
Val 162	Phe 162	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	243524.6
Non-Polymers*	Number of molecules	16
	Total formula weight	9439.0
All*	Total formula weight	252963.6

*Water molecules are not included.