1W0C

Inhibition of Leishmania major pteridine reductase (PTR1) by 2,4,6-triaminoquinazoline; structure of the NADP ternary complex.

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	polymer	307	32647.0	8	UniProt (Q01782) Pfam (PF13561)	LEISHMANIA MAJOR	H REGION METHOTREXATE RESISTANCE PROTEIN
2	I, L, N, P, R... (A, B, C, D, E...)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	8	Chemie (NAP)
3	J, K, M, O, Q... (A, B, C, D, E...)	2,4,6-TRIAMINOQUINAZOLINE	non-polymer		175.2	9	Chemie (TAQ)
4	AA, BA, CA, DA, EA... (B, C, D, E, F...)	water	water		18.0	1117	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H: -19 - -1 (PDB: 1W0C)
A, B, C, D, E, F, G, H: 1 - 288 (UniProt: Q01782)

PDB	External Database	Details
Val 162	Phe 162	conflict

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	261175.8
Non-Polymers*	Number of molecules	17
	Total formula weight	7524.0
All*	Total formula weight	268699.7

*Water molecules are not included.