6HJF

Trypanosoma cruzi proline racemase in complex with inhibitor BrOxoPA

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)	Proline racemase A	polymer	414	45796.2	2	UniProt (Q4DA80) Pfam (PF05544)	Trypanosoma cruzi (strain CL Brener)	TcPA45-A,TcPRACA,rTcPA45
2	C, D (A, B)	LAEVULINIC ACID	non-polymer		116.1	2	Chemie (SHF)
3	E, F (A, B)	water	water		18.0	528	Chemie (HOH)

Sequence modifications

A, B: 2 - 393 (UniProt: Q4DA80)

PDB	External Database	Details
Met 1	-	initiating methionine
Ile 118	Met 148	conflict
Tyr 394	-	expression tag
Ile 395	-	expression tag
Trp 396	-	expression tag
Ser 397	-	expression tag
Ser 398	-	expression tag
Ser 399	-	expression tag
Val 400	-	expression tag
Asp 401	-	expression tag
Lys 402	-	expression tag
Leu 403	-	expression tag
Ala 404	-	expression tag
Ala 405	-	expression tag
Ala 406	-	expression tag
Leu 407	-	expression tag
Glu 408	-	expression tag
His 409	-	expression tag
His 410	-	expression tag
His 411	-	expression tag
His 412	-	expression tag
His 413	-	expression tag
His 414	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	91592.5
Non-Polymers*	Number of molecules	2
	Total formula weight	232.2
All*	Total formula weight	91824.7

*Water molecules are not included.