4Z9G

Crystal structure of human corticotropin-releasing factor receptor 1 (CRF1R) in complex with the antagonist CP-376395 in a hexagonal setting with translational non-crystallographic symmetry

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	Corticotropin-releasing factor receptor 1,Lysozyme,Corticotropin-releasing factor receptor 1	polymer	443	50643.9	3	UniProt (P34998) UniProt (C3V2B5) Pfam (PF00002) Pfam (PF00959) In PDB	Homo sapiens (Human)	CRFR-1,Corticotropin-releasing hormone receptor 1
2	A, B, C	OLEIC ACID	non-polymer		282.5	10	Chemie (OLA)
3	A, B, C	3,6-dimethyl-N-(pentan-3-yl)-2-(2,4,6-trimethylphenoxy)pyridin-4-amine	non-polymer		326.5	3	Chemie (1Q5)
4	A, C	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)

Sequence modifications

A, B, C: 103 - 220 (UniProt: P34998)

PDB	External Database	Details
Met 103	Gln 103	expression tag
Ala 120	Val 120	engineered mutation
Ala 144	Leu 144	engineered mutation
Ala 156	Trp 156	engineered mutation
Ala 160	Ser 160	engineered mutation

A, B, C: 1002 - 1161 (UniProt: C3V2B5)

PDB	External Database	Details
Ser 1054	Cys 54	engineered mutation
Ser 1097	Cys 97	engineered mutation
Leu 222	-	linker

A, B, C: 223 - 372 (UniProt: P34998)

PDB	External Database	Details
Ala 228	Lys 257	engineered mutation
Ala 260	Phe 289	engineered mutation
Ala 277	Ile 306	engineered mutation
Ala 309	Tyr 338	engineered mutation
Ala 330	Phe 359	engineered mutation
Ala 349	Ser 378	engineered mutation
Ala 363	Tyr 392	engineered mutation
Ala 373	-	expression tag
Ala 374	-	expression tag
Ala 375	-	expression tag
Ala 376	-	expression tag
His 377	-	expression tag
His 378	-	expression tag
His 379	-	expression tag
His 380	-	expression tag
His 381	-	expression tag
His 382	-	expression tag
His 383	-	expression tag
His 384	-	expression tag
His 385	-	expression tag
His 386	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	151931.6
Non-Polymers*	Number of molecules	16
	Total formula weight	4092.2
All*	Total formula weight	156023.8

*Water molecules are not included.