9O4D

GutD in complex with guanine and cWW

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Cytochrome P450 121	polymer	414	45578.3	2	UniProt (A0A918H2T3) Pfam (PF00067)	Streptomyces purpureus
2	C, MB (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	D, PA (A, B)	GUANINE	non-polymer		151.1	2	Chemie (GUN)
4	AA, BA, BB, CA, DA... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	48	Chemie (EDO)
5	AB, CB, DB, EB, FB... (B, A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	9	Chemie (PEG) PubChem (8117)
6	OA, Y (B, A)	(3S,6S)-3,6-bis[(1H-indol-3-yl)methyl]piperazine-2,5-dione	non-polymer		372.4	2	Chemie (UYM)
7	JA, RB (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL) PubChem (312)
8	KA, LA, MA (A)	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG) PubChem (888)
9	SB, TB (A, B)	water	water		18.0	402	Chemie (HOH)

Sequence modifications

A, B: 2 - 398 (UniProt: A0A918H2T3)

PDB	External Database	Details
Met 0	-	initiating methionine
Gly 1	-	expression tag
Ala 109	Asp 109	conflict
Leu 399	-	expression tag
Val 400	-	expression tag
Pro 401	-	expression tag
Arg 402	-	expression tag
Gly 403	-	expression tag
Ser 404	-	expression tag
Gly 405	-	expression tag
Ser 406	-	expression tag
Ser 407	-	expression tag
His 408	-	expression tag
His 409	-	expression tag
His 410	-	expression tag
His 411	-	expression tag
His 412	-	expression tag
His 413	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	91156.5
Non-Polymers*	Number of molecules	68
	Total formula weight	6358.2
All*	Total formula weight	97514.8

*Water molecules are not included.