6EMI

Crystal structure of a variant of human butyrylcholinesterase expressed in bacteria.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Cholinesterase	polymer	532	60129.9	2	UniProt (P06276) Pfam (PF00135) In PDB	Homo sapiens (Human)	Acylcholine acylhydrolase,Butyrylcholine esterase,Choline esterase II,Pseudocholinesterase
2	B, A	1,2-ETHANEDIOL	non-polymer		62.1	17	Chemie (EDO)
3	A, B	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	4	Chemie (PEG)
4	A, B	CHLORIDE ION	non-polymer		35.5	7	Chemie (CL)
5	B, A	TRIETHYLENE GLYCOL	non-polymer		150.2	9	Chemie (PGE)
6	B	TETRAETHYLENE GLYCOL	non-polymer		194.2	2	Chemie (PG4)
7		water	water		18.0	376	Chemie (HOH)

Sequence modifications

A, B: 1 - 529 (UniProt: P06276)

PDB	External Database	Details
Gly -2	-	expression tag
Ala -1	-	expression tag
Met 0	-	expression tag
Thr 7	Ala 35	engineered mutation
Pro 48	Ser 76	engineered mutation
Gly 54	Asp 82	engineered mutation
Met 66	Cys 94	engineered mutation
Thr 71	Gln 99	engineered mutation
Met 110	Leu 138	engineered mutation
Val 111	Ile 139	engineered mutation
Pro 126	His 154	engineered mutation
Lys 176	Gln 204	engineered mutation
Asp 180	Lys 208	engineered mutation
Asp 188	Asn 216	engineered mutation
Asn 190	Lys 218	engineered mutation
Arg 191	Ser 219	engineered mutation
Pro 215	Ser 243	engineered mutation
Ala 227	Phe 255	engineered mutation
Met 234	Thr 262	engineered mutation
Pro 236	Leu 264	engineered mutation
Glu 237	Tyr 265	engineered mutation
Leu 250	Thr 278	engineered mutation
Asp 274	Leu 302	engineered mutation
Ser 283	Gly 311	engineered mutation
Thr 305	Ile 333	engineered mutation
Asp 342	Asn 370	engineered mutation
Val 356	Ile 384	engineered mutation
Asn 360	Gly 388	engineered mutation
Glu 377	Val 405	engineered mutation
Glu 379	Asp 407	engineered mutation
Asp 380	Gln 408	engineered mutation
Asp 387	Glu 415	engineered mutation
Ala 390	Gly 418	engineered mutation
Glu 391	Asp 419	engineered mutation
Phe 397	Asn 425	engineered mutation
Ala 406	Thr 434	engineered mutation
Tyr 409	Phe 437	engineered mutation
Ala 410	Ser 438	engineered mutation
His 412	Trp 440	engineered mutation
Tyr 417	Phe 445	engineered mutation
Leu 454	Asp 482	engineered mutation
Glu 459	Ala 487	engineered mutation
Glu 466	Ser 494	engineered mutation
Met 468	Val 496	engineered mutation
Arg 469	Lys 497	engineered mutation
Gln 489	Ser 517	engineered mutation
Pro 495	Ser 523	engineered mutation
Ser 508	Thr 536	engineered mutation
His 518	Gln 546	engineered mutation
Asn 523	Thr 551	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	120259.9
Non-Polymers*	Number of molecules	39
	Total formula weight	3467.8
All*	Total formula weight	123727.7

*Water molecules are not included.