5RG8

Crystal Structure of Kemp Eliminase HG3.17 in unbound state, 277K

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Kemp Eliminase HG3	polymer	318	34475.9	1	UniProt (P23360) Pfam (PF00331) In PDB	Thermoascus aurantiacus
2	A	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
3		water	water		18.0	267	Chemie (HOH)

Sequence modifications

A: 1 - 303 (UniProt: P23360)

PDB	External Database	Details
Met -1	-	initiating methionine
Ala 0	-	expression tag
Glu 1	Gln 27	conflict
Ile 6	Val 32	conflict
Lys 37	Gln 63	conflict
Met 42	Gln 68	conflict
Trp 44	Thr 70	conflict
Glu 47	Asn 73	conflict
Gln 50	Lys 76	conflict
Gly 81	Arg 107	conflict
Ala 82	Gly 108	conflict
Gly 83	His 109	conflict
Cys 84	Thr 110	conflict
Asn 89	Ser 115	conflict
Phe 90	Gln 116	conflict
Ile 105	Thr 131	conflict
Thr 125	Ala 151	conflict
Gly 130	Asn 156	conflict
Asn 142	Thr 168	conflict
Met 172	Asn 198	conflict
Met 208	Thr 234	conflict
Ser 234	Ala 260	conflict
Leu 236	Thr 262	conflict
Met 237	Glu 263	conflict
Met 267	Trp 293	conflict
Ala 275	Trp 301	conflict
Phe 276	Arg 302	conflict
Ser 279	Thr 305	conflict
Asn 300	Asp 326	conflict
Gly 304	-	expression tag
Ser 305	-	expression tag
Ile 306	-	expression tag
Glu 307	-	expression tag
Gly 308	-	expression tag
Arg 309	-	expression tag
Gly 310	-	expression tag
His 311	-	expression tag
His 312	-	expression tag
His 313	-	expression tag
His 314	-	expression tag
His 315	-	expression tag
His 316	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	34475.9
Non-Polymers*	Number of molecules	1
	Total formula weight	59.0
All*	Total formula weight	34534.9

*Water molecules are not included.