3GUL

T4 lysozyme M102E/L99A mutant with buried charge in apolar cavity--ethylbenzene binding

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Lysozyme	polymer	164	18709.6	2	UniProt (P00720) Pfam (PF00959) In PDB	Enterobacteria phage T4	Lysis protein, Muramidase, Endolysin
2	A, B	PHENYLETHANE	non-polymer		106.2	2	Chemie (PYJ)
3	A	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
4	B	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
5	B	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6		water	water		18.0	93	Chemie (HOH)

Sequence modifications

A, B: 1 - 164 (UniProt: P00720)

PDB	External Database	Details
Cys 21	Thr 21	engineered mutation
Asp 38	Ser 38	engineered mutation
Ala 99	Leu 99	engineered mutation
Glu 102	Met 102	engineered mutation
Val 108	Glu 108	engineered mutation
Val 117	Ser 117	engineered mutation
Cys 142	Thr 142	engineered mutation
Asp 144	Asn 144	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	37419.1
Non-Polymers*	Number of molecules	6
	Total formula weight	405.9
All*	Total formula weight	37825.1

*Water molecules are not included.