9P4D

Crystal Structure of Engineered glutamine binding protein and a Gd-DOTA ligand - Gln bound

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, C, D, E... (A, B, C, D, E...)	Amino acid ABC transporter substrate-binding protein	polymer	229	25254.7	6	UniProt (C3THM2)	Escherichia coli	Glutamine ABC transporter substrate-binding protein GlnH,Glutamine ABC transporter substrate-bindnig protein,Glutamine ABC transporter,periplasmic glutamine-binding protein (TC 3.A.1.3.2),substrate-binding protein,Glutamine-binding periplasmic protein,Periplasmic glutamine-binding protein,Periplasmic glutamine-binding protein permease,Permease of periplasmic glutamine-binding protein
2	G, GA, MA, O, RA... (A, D, E, B, F...)	GLUTAMINE	non-polymer		146.1	6	Chemie (GLN)
3	AA, BA, H, I, M... (C, A, E, B, F)	ACETATE ION	non-polymer		59.0	10	Chemie (ACT)
4	HA, J, LA, OA, Q... (D, A, E, B, F...)	GLYCEROL	non-polymer		92.1	9	Chemie (GOL)
5	CA, IA, K, PA, S... (C, D, A, E, B...)	4-oxo-4-[(2-{2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetamido}ethyl)amino]butanoic acid	non-polymer		546.6	6	Chemie (A1C21)
6	DA, JA, L, QA, T... (C, D, A, E, B...)	GADOLINIUM ION	non-polymer		157.3	6	Chemie (GD3)
7	EA, FA, KA, N, U... (C, D, A, B)	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
8	AB, BB, CB, XA, YA... (D, E, F, A, B...)	water	water		18.0	343	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F: 1 - 226 (UniProt: C3THM2)

PDB	External Database	Details
Ser -2	-	expression tag
Asn -1	-	expression tag
Ala 0	-	expression tag
Ile 23	Lys 45	engineered mutation
Cys 72	Thr 94	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	151527.9
Non-Polymers*	Number of molecules	43
	Total formula weight	7095.5
All*	Total formula weight	158623.4

*Water molecules are not included.