4E0U

Crystal structure of CdpNPT in complex with thiolodiphosphate and (S)-benzodiazependione

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Cyclic dipeptide N-prenyltransferase	polymer	428	48760.6	2	UniProt (D1D8L6) Pfam (PF11991) In PDB	Aspergillus fumigatus
2	A, B	(3S)-3-(1H-indol-3-ylmethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione	non-polymer		305.3	2	Chemie (0MV)
3	A, B	TRIHYDROGEN THIODIPHOSPHATE	non-polymer		193.0	2	Chemie (PIS)
4	A, B	IMIDAZOLE	non-polymer		69.1	2	Chemie (IMD)
5	A, B	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
6	A	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
7		water	water		18.0	47	Chemie (HOH)

Sequence modifications

A, B: 29 - 440 (UniProt: D1D8L6)

PDB	External Database	Details
His 13	-	expression tag
His 14	-	expression tag
His 15	-	expression tag
His 16	-	expression tag
His 17	-	expression tag
His 18	-	expression tag
Ser 19	-	expression tag
Ser 20	-	expression tag
Gly 21	-	expression tag
Leu 22	-	expression tag
Val 23	-	expression tag
Pro 24	-	expression tag
Arg 25	-	expression tag
Gly 26	-	expression tag
Ser 27	-	expression tag
His 28	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	97521.3
Non-Polymers*	Number of molecules	11
	Total formula weight	1406.2
All*	Total formula weight	98927.4

*Water molecules are not included.