5HQ3

Stable, high-expression variant of human acetylcholinesterase

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Acetylcholinesterase	polymer	548	61193.8	1	UniProt (P22303) Pfam (PF00135)	Homo sapiens (Human)	AChE
2	B (B)	Acetylcholinesterase	polymer	549	61322.9	1	UniProt (P22303) Pfam (PF00135)	Homo sapiens (Human)	AChE
3	C, E (A, B)	O-ETHYLMETHYLPHOSPHONIC ACID ESTER GROUP	non-polymer		124.1	2	Chemie (VX)	Homo sapiens
4	D, F (A, B)	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	2	Chemie (MES)	Homo sapiens
5	G (A)	water	water		18.0	1	Chemie (HOH)

Sequence modifications

A: 1 - 547 (UniProt: P22303)

PDB	External Database	Details
Met 0	-	initiating methionine
Thr 12	Val 43	engineered mutation
Thr 23	Lys 54	engineered mutation
Val 42	Met 73	engineered mutation
Arg 48	Leu 79	engineered mutation
Trp 60	Val 91	engineered mutation
Asn 67	Ser 98	engineered mutation
Asn 91	Glu 122	engineered mutation
Lys 109	Thr 140	engineered mutation
Asn 110	Ser 141	engineered mutation
Ala 112	Thr 143	engineered mutation
Met 115	Leu 146	engineered mutation
Ser 127	Ala 158	engineered mutation
Arg 140	Gln 171	engineered mutation
Thr 141	Ala 172	engineered mutation
Val 144	Thr 175	engineered mutation
Ile 187	Val 218	engineered mutation
Ile 226	Val 257	engineered mutation
Ala 234	Gly 265	engineered mutation
Tyr 238	Thr 269	engineered mutation
Ser 240	Gly 271	engineered mutation
Arg 241	Met 272	engineered mutation
Glu 242	Gly 273	engineered mutation
Leu 249	Thr 280	engineered mutation
Lys 253	His 284	engineered mutation
Asn 275	Thr 306	engineered mutation
Pro 278	Ala 309	engineered mutation
Glu 280	Val 311	engineered mutation
Pro 309	Ser 340	engineered mutation
Asn 318	Ala 349	engineered mutation
Lys 322	His 353	engineered mutation
Asp 325	Gln 356	engineered mutation
Asn 331	Val 362	engineered mutation
Glu 357	Ala 388	engineered mutation
Glu 361	Ala 392	engineered mutation
Ile 378	Val 409	engineered mutation
Lys 393	Arg 424	engineered mutation
Asn 394	Leu 425	engineered mutation
Asp 396	Glu 427	engineered mutation
Ile 408	Val 439	engineered mutation
Phe 414	Leu 445	engineered mutation
Gln 416	Gly 447	engineered mutation
Tyr 418	Leu 449	engineered mutation
Asn 421	Gln 452	engineered mutation
Ser 434	Ala 465	engineered mutation
Pro 438	Ser 469	engineered mutation
Glu 441	Leu 472	engineered mutation
Lys 467	Ala 498	engineered mutation
Arg 474	Gln 505	engineered mutation
Asp 506	Gly 537	engineered mutation
Glu 507	Ala 538	engineered mutation
Lys 509	Gln 540	engineered mutation

B: 1 - 548 (UniProt: P22303)

PDB	External Database	Details
Met 0	-	initiating methionine
Thr 12	Val 43	engineered mutation
Thr 23	Lys 54	engineered mutation
Val 42	Met 73	engineered mutation
Arg 48	Leu 79	engineered mutation
Trp 60	Val 91	engineered mutation
Asn 67	Ser 98	engineered mutation
Asn 91	Glu 122	engineered mutation
Lys 109	Thr 140	engineered mutation
Asn 110	Ser 141	engineered mutation
Ala 112	Thr 143	engineered mutation
Met 115	Leu 146	engineered mutation
Ser 127	Ala 158	engineered mutation
Arg 140	Gln 171	engineered mutation
Thr 141	Ala 172	engineered mutation
Val 144	Thr 175	engineered mutation
Ile 187	Val 218	engineered mutation
Ile 226	Val 257	engineered mutation
Ala 234	Gly 265	engineered mutation
Tyr 238	Thr 269	engineered mutation
Ser 240	Gly 271	engineered mutation
Arg 241	Met 272	engineered mutation
Glu 242	Gly 273	engineered mutation
Leu 249	Thr 280	engineered mutation
Lys 253	His 284	engineered mutation
Asn 275	Thr 306	engineered mutation
Pro 278	Ala 309	engineered mutation
Glu 280	Val 311	engineered mutation
Pro 309	Ser 340	engineered mutation
Asn 318	Ala 349	engineered mutation
Lys 322	His 353	engineered mutation
Asp 325	Gln 356	engineered mutation
Asn 331	Val 362	engineered mutation
Glu 357	Ala 388	engineered mutation
Glu 361	Ala 392	engineered mutation
Ile 378	Val 409	engineered mutation
Lys 393	Arg 424	engineered mutation
Asn 394	Leu 425	engineered mutation
Asp 396	Glu 427	engineered mutation
Ile 408	Val 439	engineered mutation
Phe 414	Leu 445	engineered mutation
Gln 416	Gly 447	engineered mutation
Tyr 418	Leu 449	engineered mutation
Asn 421	Gln 452	engineered mutation
Ser 434	Ala 465	engineered mutation
Pro 438	Ser 469	engineered mutation
Glu 441	Leu 472	engineered mutation
Lys 467	Ala 498	engineered mutation
Arg 474	Gln 505	engineered mutation
Asp 506	Gly 537	engineered mutation
Glu 507	Ala 538	engineered mutation
Lys 509	Gln 540	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	122516.7
Non-Polymers*	Number of molecules	4
	Total formula weight	638.6
All*	Total formula weight	123155.3

*Water molecules are not included.