2VR4

Transition-state mimicry in mannoside hydrolysis: characterisation of twenty six inhibitors and insight into binding from linear free energy relationships and 3-D structure

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)	BETA-MANNOSIDASE	polymer	846	97989.7	2	UniProt (Q8AAK6) Pfam (PF22666) Pfam (PF00703) Pfam (PF17786) Pfam (PF17753)	BACTEROIDES THETAIOTAOMICRON
2	C, JA (A, B)	(2Z,3R,4S,5R,6R)-2-[(4-aminobutyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol	non-polymer		247.3	2	Chemie (17B)
3	AB, BB, CB, D, DA... (B, A)	1,2-ETHANEDIOL	non-polymer		62.1	50	Chemie (EDO)
4	BA, N, O, P, S... (A, B)	BROMIDE ION	non-polymer		79.9	8	Chemie (BR)
5	AA, CA, DB, FB, HA... (A, B)	CHLORIDE ION	non-polymer		35.5	11	Chemie (CL)
6	VB, WB (A, B)	water	water		18.0	1149	Chemie (HOH)

Sequence modifications

A, B: 26 - 864 (UniProt: Q8AAK6)
A, B: 865 - 871 (PDB: 2VR4)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	195979.5
Non-Polymers*	Number of molecules	71
	Total formula weight	4627.2
All*	Total formula weight	200606.7

*Water molecules are not included.