2CBT

Crystal structure of the neocarzinostatin 4Tes1 mutant bound testosterone hemisuccinate.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	NEOCARZINOSTATIN	polymer	112	11290.3	2	UniProt (P0A3R9) Pfam (PF00960) In PDB	STREPTOMYCES CARZINOSTATICUS	NCS, MITOMALCIN, MMC
2	A, B	TESTOSTERONE HEMISUCCINATE	non-polymer		388.5	2	Chemie (TH2)
3		water	water		18.0	30	Chemie (HOH)

Sequence modifications

A, B: 1001 - 1112 (UniProt: P0A3R9)

PDB	External Database	Details
Trp 1033	Asp 67	engineered mutation
Ala 1035	Gly 69	engineered mutation
Ser 1037	Cys 71	engineered mutation
Tyr 1045	Leu 79	engineered mutation
Ser 1047	Cys 81	engineered mutation
Ile 1052	Phe 86	engineered mutation
Trp 1078	Phe 112	engineered mutation
His 1094	Gln 128	engineered mutation
Thr 1096	Gly 130	engineered mutation
Arg 1098	Ser 132	engineered mutation
Leu 1101	Ala 135	engineered mutation
Ser 1102	Gly 136	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	22580.6
Non-Polymers*	Number of molecules	2
	Total formula weight	777.0
All*	Total formula weight	23357.6

*Water molecules are not included.