4L6H

Crystal structure of the Candida albicans Methionine Synthase in complex with Methotrexate and Homocysteine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase	polymer	789	88189.0	1	UniProt (P82610) Pfam (PF08267) Pfam (PF01717) In PDB	Candida albicans SC5314	Cobalamin-independent methionine synthase, Methionine synthase, vitamin-B12 independent isozyme
2	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	A	2-AMINO-4-MERCAPTO-BUTYRIC ACID	non-polymer		135.2	1	Chemie (HCS)
4	A	METHOTREXATE	non-polymer		454.4	1	Chemie (MTX)
5		water	water		18.0	646	Chemie (HOH)

Sequence modifications

A: 1 - 767 (UniProt: P82610)

PDB	External Database	Details
Met -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
Ser -14	-	expression tag
Ser -13	-	expression tag
Gly -12	-	expression tag
Val -11	-	expression tag
Asp -10	-	expression tag
Leu -9	-	expression tag
Gly -8	-	expression tag
Thr -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Ser 0	-	expression tag
Ala 103	Lys 103	engineered mutation
Ala 104	Lys 104	engineered mutation
Ala 107	Glu 107	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	88189.0
Non-Polymers*	Number of molecules	3
	Total formula weight	655.0
All*	Total formula weight	88844.0

*Water molecules are not included.