9F0Q

VIM-2 in complex with GKV53 (5d) - dynamically chiral phosphonic acid-type metallo-beta-lactamase inhibitors

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Metallo-beta-lactamase type 2	polymer	254	27351.3	2	UniProt (B8QIQ9) Pfam (PF00753) UniProt (by SIFTS) (A0A0F7KYQ8)	Pseudomonas aeruginosa	B2 metallo-beta-lactamase,Metallo-beta-lactamase type II
2	C, D, I, J (A, B)	FORMIC ACID	non-polymer		46.0	4	Chemie (FMT)
3	E, L (A, B)	[(S)-(1-benzothiophen-3-ylcarbonylamino)-(2-hydroxyphenyl)methyl]phosphonic acid	non-polymer		363.3	2	Chemie (A1IJ9)
4	F, G, H, M, N... (A, B)	ZINC ION	non-polymer		65.4	6	Chemie (ZN)
5	K (B)	[(R)-(1-benzothiophen-3-ylcarbonylamino)-(2-hydroxyphenyl)methyl]phosphonic acid	non-polymer		363.3	1	Chemie (A1H8W)
6	P, Q (A, B)	water	water		18.0	466	Chemie (HOH)

Sequence modifications

A, B: 27 - 266 (UniProt: B8QIQ9)

PDB	External Database	Details
Met 13	-	initiating methionine
His 14	-	expression tag
His 15	-	expression tag
His 16	-	expression tag
His 17	-	expression tag
His 18	-	expression tag
His 19	-	expression tag
Glu 20	-	expression tag
Asn 21	-	expression tag
Leu 22	-	expression tag
Tyr 23	-	expression tag
Phe 24	-	expression tag
Gln 25	-	expression tag
Gly 26	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	54702.6
Non-Polymers*	Number of molecules	13
	Total formula weight	1666.5
All*	Total formula weight	56369.1

*Water molecules are not included.