4JNY

Crystal structure of PutA86-630 mutant D370A complexed with L-Tetrahydro-2-furoic acid

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Bifunctional protein PutA	polymer	602	66624.1	1	UniProt (P09546) Pfam (PF18327) Pfam (PF14850) Pfam (PF01619) In PDB	Escherichia coli	Proline dehydrogenase, Proline oxidase, Delta-1-pyrroline-5-carboxylate dehydrogenase, P5C dehydrogenase
2	A	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	1	Chemie (FAD)
3	A	TETRAHYDROFURAN-2-CARBOXYLIC ACID	non-polymer		116.1	1	Chemie (TFB)
4	A	PENTAETHYLENE GLYCOL	non-polymer		238.3	2	Chemie (1PE)
5		water	water		18.0	214	Chemie (HOH)

Sequence modifications

A: 86 - 669 (UniProt: P09546)

PDB	External Database	Details
Ala 370	Asp 370	engineered mutation
Ser 670	-	expression tag
Ser 671	-	expression tag
Ser 672	-	expression tag
Val 673	-	expression tag
Asp 674	-	expression tag
Lys 675	-	expression tag
Leu 676	-	expression tag
Ala 677	-	expression tag
Ala 678	-	expression tag
Ala 679	-	expression tag
Leu 680	-	expression tag
Glu 681	-	expression tag
His 682	-	expression tag
His 683	-	expression tag
His 684	-	expression tag
His 685	-	expression tag
His 686	-	expression tag
His 687	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	66624.1
Non-Polymers*	Number of molecules	4
	Total formula weight	1378.2
All*	Total formula weight	68002.3

*Water molecules are not included.