1MS0

Monoclinic form of Trypanosoma cruzi trans-sialidase, in complex with 3-deoxy-2,3-dehydro-N-acetylneuraminic acid (DANA)and lactose

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)	trans-sialidase	polymer	648	71389.3	2	UniProt (Q26964) Pfam (PF13859) Pfam (PF22925) UniProt (by SIFTS) (Q26966)	Trypanosoma cruzi
2	C, D (C, D)	beta-D-galactopyranose-(1-4)-beta-D-glucopyranose	branched		342.3	2	In PDB BIRD (PRD_900004) GlyTouCan (G84224TW)		beta-lactose
3	E, F (A, B)	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	non-polymer		291.3	2	Chemie (DAN)
4	G, H (A, B)	water	water		18.0	616	Chemie (HOH)

Sequence modifications

A, B: 1 - 634 (UniProt: Q26964)

PDB	External Database	Details
Met -13	-	expression tag
Gly -12	-	expression tag
Gly -11	-	expression tag
Ser -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
Gly -3	-	expression tag
Met -2	-	expression tag
Ala -1	-	expression tag
Ser 0	-	expression tag
Phe 58	Asn 59	engineered mutation
Thr 262	Ser 263	SEE REMARK 999
His 476	Arg 477	SEE REMARK 999
Leu 484	Val 485	SEE REMARK 999
Lys 495	Ser 496	engineered mutation
Gly 496	Val 497	engineered mutation
Lys 520	Glu 521	engineered mutation
Val 558	Glu 559	SEE REMARK 999
Gly 593	Asp 594	engineered mutation
Asp 597	Ile 598	engineered mutation
Arg 599	His 600	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	142778.5
Branched	Number of molecules	2
	Total formula weight	684.6
Non-Polymers*	Number of molecules	2
	Total formula weight	582.5
All*	Total formula weight	144045.6

*Water molecules are not included.