5YTO

Crystal Structure of human Superoxide Dismutase I (hSOD1) in complex with a napthalene-catechol linked compound.

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, C, D, E...)	Superoxide dismutase [Cu-Zn]	polymer	180	19092.2	10	UniProt (P00441) Pfam (PF00080)	Homo sapiens (Human)	Superoxide dismutase 1,hSod1
2	BA, K, M, Q, T... (I, A, B, C, D...)	ZINC ION	non-polymer		65.4	9	Chemie (ZN)
3	L, N, R (A, B, C)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
4	AA, O, U (H, B, D)	4-[(1~{R})-2-(naphthalen-2-ylmethylamino)-1-oxidanyl-ethyl]benzene-1,2-diol	non-polymer		309.4	3	Chemie (946)
5	P, S, W (B, C, E)	PENTASULFIDE-SULFUR	non-polymer		160.3	3	Chemie (PS5)
6	CA, DA, EA, FA, GA... (A, B, C, D, E...)	water	water		18.0	1489	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, 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	18
	Total formula weight	2274.0
All*	Total formula weight	193196.2

*Water molecules are not included.