4UCX

Structure of the T18G small subunit mutant of D. fructosovorans NiFe- hydrogenase

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 (A, B, C)	HYDROGENASE (NIFE) SMALL SUBUNIT HYDA	polymer	264	28303.3	3	UniProt (P18187) Pfam (PF01058) Pfam (PF14720)	DESULFOVIBRIO FRUCTOSIVORANS	NIFE-HYDROGENASE SMALL SUBUNIT
2	D, E, F (Q, R, S)	NICKEL-DEPENDENT HYDROGENASE LARGE SUBUNIT	polymer	563	61200.8	3	UniProt (P18188) Pfam (PF00374)	DESULFOVIBRIO FRUCTOSIVORANS	NIFE-HYDROGENASE LARGE SUBUNIT
3	G, I, M, O, P... (A, B, C)	IRON/SULFUR CLUSTER	non-polymer		351.6	6	Chemie (SF4)
4	H, N, Q (A, B, C)	FE3-S4 CLUSTER	non-polymer		295.8	3	Chemie (F3S)
5	CA, GA, HA, J, K... (R, S, A, Q)	GLYCEROL	non-polymer		92.1	9	Chemie (GOL)
6	DA, S, Z (S, Q, R)	CARBONMONOXIDE-(DICYANO) IRON	non-polymer		135.9	3	Chemie (FCO)
7	AA, EA, T (R, S, Q)	NICKEL (II) ION	non-polymer		58.7	3	Chemie (NI)
8	BA, FA, U, V (R, S, Q)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
9	IA, JA, KA, LA, MA... (A, B, C, Q, R...)	water	water		18.0	606	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 264 (UniProt: P18187)

PDB	External Database	Details
Gly 18	Thr 68	engineered mutation

Q, R, S: 2 - 549 (UniProt: P18188)

PDB	External Database	Details
Ala -13	-	expression tag
Ser -12	-	expression tag
Trp -11	-	expression tag
Ser -10	-	expression tag
His -9	-	expression tag
Pro -8	-	expression tag
Gln -7	-	expression tag
Phe -6	-	expression tag
Glu -5	-	expression tag
Lys -4	-	expression tag
Gly -3	-	expression tag
Ala -2	-	expression tag
Ser -1	-	expression tag
Gly 0	-	expression tag
Ala 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	268512.1
Non-Polymers*	Number of molecules	28
	Total formula weight	4507.0
All*	Total formula weight	273019.2

*Water molecules are not included.