3MFA

Computationally designed endo-1,4-beta-xylanase

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Endo-1,4-beta-xylanase	polymer	194	21352.1	1	UniProt (Q8GMV7) Pfam (PF00457) In PDB	Thermopolyspora flexuosa
2	A	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
3		water	water		18.0	183	Chemie (HOH)

Sequence modifications

A: 3 - 194 (UniProt: Q8GMV7)

PDB	External Database	Details
Gly 1	-	expression tag
Ser 2	-	expression tag
Leu 48	Asn 89	engineered mutation
Arg 76	Tyr 117	engineered mutation
Gly 85	Asn 126	engineered mutation
Ser 89	Glu 130	engineered mutation
His 91	Tyr 132	engineered mutation
Tyr 135	Phe 176	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	21352.1
Non-Polymers*	Number of molecules	2
	Total formula weight	192.1
All*	Total formula weight	21544.2

*Water molecules are not included.