5RGD

Crystal Structure of Kemp Eliminase HG3.14 with bound transition state analogue, 277K

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Kemp Eliminase HG3.14	polymer	318	34565.9	2	UniProt (P23360) Pfam (PF00331) In PDB	Thermoascus aurantiacus
2	A, B	6-NITROBENZOTRIAZOLE	non-polymer		164.1	2	Chemie (6NT)
3	A, B	SULFATE ION	non-polymer		96.1	5	Chemie (SO4)
4		water	water		18.0	490	Chemie (HOH)

Sequence modifications

A, B: 2 - 303 (UniProt: P23360)

PDB	External Database	Details
Met -1	-	initiating methionine
Ala 0	-	expression tag
Glu 1	-	expression tag
Ile 6	Val 32	engineered mutation
Lys 37	Gln 63	engineered mutation
Met 42	Gln 68	engineered mutation
Trp 44	Thr 70	engineered mutation
Gln 50	Lys 76	engineered mutation
Gly 81	Arg 107	engineered mutation
Ala 82	Gly 108	engineered mutation
Gly 83	His 109	engineered mutation
Cys 84	Thr 110	engineered mutation
His 90	Gln 116	engineered mutation
Ile 105	Thr 131	engineered mutation
Thr 125	Ala 151	engineered mutation
Gly 130	Asn 156	engineered mutation
Asn 142	Thr 168	engineered mutation
Met 172	Asn 198	engineered mutation
Met 208	Thr 234	engineered mutation
Ser 234	Ala 260	engineered mutation
Leu 236	Thr 262	engineered mutation
Met 237	Glu 263	engineered mutation
Phe 267	Trp 293	engineered mutation
Ser 279	Thr 305	engineered mutation
Asn 300	Asp 326	engineered mutation
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	2
	Total formula weight	69131.8
Non-Polymers*	Number of molecules	7
	Total formula weight	808.6
All*	Total formula weight	69940.4

*Water molecules are not included.