8DSG

P411-PFA carbene transferase

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	Cytochrome P450-BM3 variant P411-PFA	polymer	472	53955.5	4	UniProt (F2Q7T0) Pfam (PF00067) UniProt (by SIFTS) (P14779) In PDB	Priestia megaterium
2	A, B, C, D	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	A, B, C, D	1,2-ETHANEDIOL	non-polymer		62.1	9	Chemie (EDO)
4	A, B, C, D	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
5	A, B	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		209.2	2	Chemie (BTB)
6		water	water		18.0	985	Chemie (HOH)

Sequence modifications

A, B, C, D: 0 - 463 (UniProt: F2Q7T0)

PDB	External Database	Details
Thr 70	Asn 71	engineered mutation
Gly 74	Ala 75	engineered mutation
Leu 78	Val 79	engineered mutation
Leu 82	Ala 83	engineered mutation
Ala 87	Phe 88	engineered mutation
Ser 118	Met 119	engineered mutation
Ser 142	Pro 143	engineered mutation
Ile 175	Thr 176	engineered mutation
Val 184	Ala 185	engineered mutation
Thr 226	Ser 227	engineered mutation
Gln 236	His 237	engineered mutation
Gly 252	Glu 253	engineered mutation
Tyr 263	Ile 264	engineered mutation
Val 266	His 267	engineered mutation
Gly 268	Thr 269	engineered mutation
Val 290	Ala 291	engineered mutation
Val 327	Thr 328	engineered mutation
Val 328	Ala 329	engineered mutation
Val 330	Ala 331	engineered mutation
Val 353	Leu 354	engineered mutation
Val 366	Ile 367	engineered mutation
Ser 400	Cys 401	engineered mutation
Pro 401	Ile 402	engineered mutation
Leu 436	Thr 437	engineered mutation
Gln 437	Leu 438	engineered mutation
Lys 442	Glu 443	engineered mutation
Leu 464	-	expression tag
Glu 465	-	expression tag
His 466	-	expression tag
His 467	-	expression tag
His 468	-	expression tag
His 469	-	expression tag
His 470	-	expression tag
His 471	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	215822.0
Non-Polymers*	Number of molecules	21
	Total formula weight	4019.4
All*	Total formula weight	219841.4

*Water molecules are not included.