6HJE

Trypanosoma cruzi proline racemase in complex with inhibitor NG-P27

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Proline racemase A	polymer	414	45796.2	2	UniProt (Q4DA80) Pfam (PF05544) In PDB	Trypanosoma cruzi (strain CL Brener)	TcPA45-A,TcPRACA,rTcPA45
2	A	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
3	A, B	2-[(1~{S})-2-oxidanylidenecyclopentyl]ethanoic acid	non-polymer		142.2	2	Chemie (7N0)
4		water	water		18.0	389	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	3
	Total formula weight	379.3
All*	Total formula weight	91971.8

*Water molecules are not included.