8AUT

WelO5* L221A bound to Zn(II), Cl, 2-oxoglutarate, and 12-epi-hapalindole C

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 (A, B, C, D)	Oxidoreductase	polymer	310	34569.9	4	UniProt (A0A075X7C6) Pfam (PF22814)	Hapalosiphon welwitschii UH IC-52-3
2	E, J, Q, U (A, B, C, D)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
3	F, K, R, V (A, B, C, D)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
4	G, L, S, W (A, B, C, D)	2-OXOGLUTARIC ACID	non-polymer		146.1	4	Chemie (AKG)
5	H, M, T, X (A, B, C, D)	3-[(1~{S},2~{R},3~{S},6~{S})-3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-yl-cyclohexyl]-1~{H}-indole	non-polymer		304.4	4	Chemie (OAU)
6	I, O, P (A, B)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
7	N (B)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
8	AA, BA, Y, Z (C, D, A, B)	water	water		18.0	110	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 290 (UniProt: A0A075X7C6)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Ala 221	Leu 221	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	138279.5
Non-Polymers*	Number of molecules	20
	Total formula weight	2585.8
All*	Total formula weight	140865.3

*Water molecules are not included.