2FG9

CRYSTAL STRUCTURE OF A PUTATIVE 5-NITROIMIDAZOLE ANTIBIOTIC RESISTANCE PROTEIN (BT_3078) FROM BACTEROIDES THETAIOTAOMICRON VPI-5482 AT 2.20 A RESOLUTION

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	5-nitroimidazole antibiotic resistance protein	polymer	178	21013.6	1	GenBank (29340391) Pfam (PF12900) UniProt (by SIFTS) (Q8A377)	Bacteroides thetaiotaomicron
2	B (A)	NICKEL (II) ION	non-polymer		58.7	1	Chemie (NI)
3	C (A)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	1	Chemie (FAD)
4	D (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
5	E (A)	water	water		18.0	46	Chemie (HOH)

Sequence modifications

A: 1 - 159 (GenBank: 29340391)

PDB	External Database	Details
Mse -18	-	expression tag
Gly -17	-	expression tag
Ser -16	-	expression tag
Asp -15	-	expression tag
Lys -14	-	expression tag
Ile -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag
Mse 1	Met 1	modified residue
Mse 38	Met 38	modified residue
Mse 60	Met 60	modified residue
Mse 90	Met 90	modified residue
Mse 96	Met 96	modified residue
Mse 107	Met 107	modified residue
Mse 118	Met 118	modified residue
Mse 146	Met 146	modified residue

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	21013.6
Non-Polymers*	Number of molecules	3
	Total formula weight	906.3
All*	Total formula weight	21919.9

*Water molecules are not included.