7XX3

Crystal structure of human Superoxide Dismutase (SOD1) in complex with a fungal metabolite molecule, Phialomustin B (PB)

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, E... (A, B, D, C, H...)	Superoxide dismutase [Cu-Zn]	polymer	180	19092.2	10	UniProt (P00441) Pfam (PF00080)	Homo sapiens (human)	Superoxide dismutase 1,hSod1
2	AA, BA, K, M, R... (G, I, A, B, D...)	ZINC ION	non-polymer		65.4	9	Chemie (ZN)
3	L, O, P, Q, T (A, B, D)	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
4	CA, N, S, V (I, B, D, C)	(2~{E},4~{E},6~{S})-4,6-dimethyldeca-2,4-dienoic acid	non-polymer		196.3	4	Chemie (I2G)
5	X (E)	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
6	DA, EA, FA, GA, HA... (A, B, D, C, H...)	water	water		18.0	1208	Chemie (HOH)

Sequence modifications

A, B, D, C, H, E, F, G, I, J: 0 - 153 (UniProt: P00441)

PDB	External Database	Details
Met -26	-	initiating methionine
Lys -25	-	expression tag
His -24	-	expression tag
His -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
Pro -18	-	expression tag
Met -17	-	expression tag
Ser -16	-	expression tag
Asp -15	-	expression tag
Tyr -14	-	expression tag
Asp -13	-	expression tag
Ile -12	-	expression tag
Pro -11	-	expression tag
Thr -10	-	expression tag
Thr -9	-	expression tag
Glu -8	-	expression tag
Asn -7	-	expression tag
Leu -6	-	expression tag
Tyr -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Gly -2	-	expression tag
Ala -1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	10
	Total formula weight	190922.2
Non-Polymers*	Number of molecules	19
	Total formula weight	1912.4
All*	Total formula weight	192834.6

*Water molecules are not included.