3M49

Crystal Structure of Transketolase Complexed with Thiamine Diphosphate from Bacillus anthracis

Replaces:  3K95

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Transketolase	polymer	690	76305.6	2	UniProt (Q81Y15) Pfam (PF00456) Pfam (PF02779) Pfam (PF22613) UniProt (by SIFTS) (A0A6L7H165) In PDB	Bacillus anthracis
2	B, A	THIAMINE DIPHOSPHATE	non-polymer		425.3	2	Chemie (TPP)
3	B, A	SULFATE ION	non-polymer		96.1	9	Chemie (SO4)
4	B, A	FORMIC ACID	non-polymer		46.0	12	Chemie (FMT)
5	B, A	GLYCEROL	non-polymer		92.1	8	Chemie (GOL)
6	A	ACETIC ACID	non-polymer		60.1	1	Chemie (ACY)
7	A	1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE	non-polymer		178.2	1	Chemie (PG5)
8	A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
9	A	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		122.1	1	Chemie (TRS)
10	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
11	B	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		209.2	1	Chemie (BTB)
12		water	water		18.0	1130	Chemie (HOH)

Sequence modifications

A, B: 1 - 666 (UniProt: Q81Y15)

PDB	External Database	Details
Mse -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
Ser -16	-	expression tag
Ser -15	-	expression tag
Gly -14	-	expression tag
Val -13	-	expression tag
Asp -12	-	expression tag
Leu -11	-	expression tag
Gly -10	-	expression tag
Thr -9	-	expression tag
Glu -8	-	expression tag
Asn -7	-	expression tag
Leu -6	-	expression tag
Tyr -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Ser -2	-	expression tag
Asn -1	-	expression tag
Ala 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	152611.2
Non-Polymers*	Number of molecules	38
	Total formula weight	3810.5
All*	Total formula weight	156421.7

*Water molecules are not included.