5JQJ

Directed evolutionary changes in MBL super family - NDM-1 Round 10 crystal-1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Metallo-beta-lactamase type 2	polymer	245	25988.4	1	UniProt (C7C422) Pfam (PF00753) In PDB	Klebsiella pneumoniae	B2 metallo-beta-lactamase,Beta-lactamase type II,Metallo-beta-lactamase NDM-1,Metallo-beta-lactamase type II,New Delhi metallo-beta-lactamase-1,NDM-1
2	A	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	A	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	2	Chemie (MES)
4	A	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5		water	water		18.0	266	Chemie (HOH)

Sequence modifications

A: 29 - 270 (UniProt: C7C422)

PDB	External Database	Details
Gly 26	-	expression tag
His 27	-	expression tag
Met 28	-	expression tag
Pro 49	Leu 49	engineered mutation
Met 88	Val 88	engineered mutation
Gly 93	Trp 93	engineered mutation
Ala 96	Asp 96	engineered mutation
Lys 103	Asn 103	engineered mutation
Arg 151	Gln 151	engineered mutation
Val 154	Met 154	engineered mutation
Thr 166	Asn 166	engineered mutation
Arg 211	Lys 211	engineered mutation
Asp 222	Gly 222	engineered mutation
Glu 223	Asp 223	engineered mutation
Val 233	Ala 233	engineered mutation
Phe 251	Ser 251	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	25988.4
Non-Polymers*	Number of molecules	6
	Total formula weight	569.9
All*	Total formula weight	26558.3

*Water molecules are not included.