7XN9

Crystal structure of SSTR2 and L-054,522 complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Somatostatin receptor type 2,Endo-1,4-beta-xylanase	polymer	589	66058.1	1	UniProt (P30874) UniProt (P09850) Pfam (PF00001) Pfam (PF00457) In PDB	Homo sapiens (human)	SS-2-R,SS2-R,SS2R,SRIF-1,Xylanase,1,4-beta-D-xylan xylanohydrolase
2	A	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	1	Chemie (EPE)
3	A	tert-butyl (2S)-6-azanyl-2-[[(2R,3S)-3-(1H-indol-3-yl)-2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbonylamino]butanoyl]amino]hexanoate	non-polymer		645.8	1	Chemie (GI9)

Sequence modifications

A: 2 - 239 (UniProt: P30874)

PDB	External Database	Details
Met -24	-	expression tag
Lys -23	-	expression tag
Thr -22	-	expression tag
Ile -21	-	expression tag
Ile -20	-	expression tag
Ala -19	-	expression tag
Leu -18	-	expression tag
Ser -17	-	expression tag
Tyr -16	-	expression tag
Ile -15	-	expression tag
Phe -14	-	expression tag
Cys -13	-	expression tag
Leu -12	-	expression tag
Val -11	-	expression tag
Phe -10	-	expression tag
Ala -9	-	expression tag
Asp -8	-	expression tag
Tyr -7	-	expression tag
Lys -6	-	expression tag
Asp -5	-	expression tag
Asp -4	-	expression tag
Asp -3	-	expression tag
Asp -2	-	expression tag
Gly -1	-	expression tag
Ala 0	-	expression tag
Pro 1	-	expression tag
Glu 106	Val 106	conflict

A: 1000 - 1184 (UniProt: P09850)

PDB	External Database	Details
Phe 1010	Asp 39	conflict
Asp 1121	Arg 150	conflict

A: 243 - 359 (UniProt: P30874)

PDB	External Database	Details
Asp 316	Ser 316	conflict
Glu 360	-	expression tag
Phe 361	-	expression tag
Leu 362	-	expression tag
Glu 363	-	expression tag
Val 364	-	expression tag
Leu 365	-	expression tag
Phe 366	-	expression tag
Gln 367	-	expression tag
Gly 368	-	expression tag
Pro 369	-	expression tag
His 370	-	expression tag
His 371	-	expression tag
His 372	-	expression tag
His 373	-	expression tag
His 374	-	expression tag
His 375	-	expression tag
His 376	-	expression tag
His 377	-	expression tag
His 378	-	expression tag
His 379	-	expression tag
Glu 380	-	expression tag
Pro 381	-	expression tag
Glu 382	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	66058.1
Non-Polymers*	Number of molecules	2
	Total formula weight	884.1
All*	Total formula weight	66942.2

*Water molecules are not included.