3B69

T cruzi Trans-sialidase complex with benzoylated NANA derivative

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Trans-sialidase	polymer	648	71389.3	1	UniProt (Q26966) Pfam (PF13859) Pfam (PF22925) UniProt (by SIFTS) (Q26964) In PDB	Trypanosoma cruzi
2	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
3	A	5-acetamido-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid	non-polymer		430.4	1	Chemie (BFN)
4	A	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	1	Chemie (EPE)
5		water	water		18.0	378	Chemie (HOH)

Sequence modifications

A: 1 - 634 (UniProt: Q26966)

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	1
	Total formula weight	71389.3
Non-Polymers*	Number of molecules	3
	Total formula weight	704.1
All*	Total formula weight	72093.4

*Water molecules are not included.