8PND

The ES3 intermediate of hydroxymethylbilane synthase R167Q variant

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)	Porphobilinogen deaminase	polymer	364	39996.6	2	UniProt (P08397) Pfam (PF01379) Pfam (PF03900)	Homo sapiens (human)	PBG-D,Hydroxymethylbilane synthase,HMBS,Pre-uroporphyrinogen synthase
2	C, G (A, B)	3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid	non-polymer		1048.0	2	Chemie (ZWW)
3	D, E, F, H (A, B)	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
4	I, J (B)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
5	K, L (A, B)	water	water		18.0	269	Chemie (HOH)

Sequence modifications

A, B: 18 - 361 (UniProt: P08397)

PDB	External Database	Details
Met -2	-	initiating methionine
Gly -1	-	expression tag
Ser 0	-	expression tag
Ser 1	-	expression tag
His 2	-	expression tag
His 3	-	expression tag
His 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
Ser 8	-	expression tag
Ser 9	-	expression tag
Gly 10	-	expression tag
Glu 11	-	expression tag
Asn 12	-	expression tag
Leu 13	-	expression tag
Tyr 14	-	expression tag
Phe 15	-	expression tag
Gln 16	-	expression tag
Gly 17	-	expression tag
Gln 167	Arg 167	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	79993.3
Non-Polymers*	Number of molecules	8
	Total formula weight	2588.5
All*	Total formula weight	82581.8

*Water molecules are not included.