29RS

Putative Polyurethane Degrading Esterase Bound to Fragment VT00401

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Carboxylic ester hydrolase	polymer	530	58791.5	1	UniProt (A0A9Q3ZCR3)	Alloalcanivorax xenomutans
2	B (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL) PubChem (753)
3	C (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
4	D (A)	PARA ACETAMIDO BENZOIC ACID	non-polymer		179.2	1	Chemie (TYZ) PubChem (19266)
5	E (A)	water	water		18.0	414	Chemie (HOH)

Sequence modifications

A: 3 - 506 (UniProt: A0A9Q3ZCR3)

PDB	External Database	Details
Met 1	-	initiating methionine
Ala 2	-	expression tag
Cys 38	His 37	conflict
Asp 89	Gly 88	conflict
Ala 229	Thr 228	conflict
Thr 472	Ala 471	conflict
Gly 475	Ser 474	conflict
Thr 490	Ala 489	conflict
Glu 491	Ala 490	conflict
Gln 495	Glu 494	conflict
Glu 496	Gln 495	conflict
Arg 503	Val 502	conflict
Arg 507	-	expression tag
Pro 508	-	expression tag
Glu 524	-	expression tag
Thr 525	-	expression tag
Ala 526	-	expression tag
Lys 527	-	expression tag
Ser 528	-	expression tag
Ser 529	-	expression tag
Gly 530	-	expression tag
Glu 531	-	expression tag
Asn 532	-	expression tag
Leu 533	-	expression tag
Tyr 534	-	expression tag
Phe 535	-	expression tag
Gln 536	-	expression tag
Gly 537	-	expression tag
His 538	-	expression tag
His 539	-	expression tag
His 540	-	expression tag
His 541	-	expression tag
His 542	-	expression tag
His 543	-	expression tag
His 544	-	expression tag
His 545	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	58791.5
Non-Polymers*	Number of molecules	3
	Total formula weight	333.3
All*	Total formula weight	59124.9

*Water molecules are not included.