6HLL
Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist CP-99,994
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Substance-P receptor,GlgA glycogen synthase,Substance-P receptor | polymer | 520 | 59034.1 | 1 | UniProt (P25103) UniProt (Q9V2J8) Pfam (PF00001) Pfam (PF13692) In PDB | Homo sapiens (Human) | SPR,NK-1 receptor,NK-1R,Tachykinin receptor 1,Glycogen synthase,SPR,NK-1 receptor,NK-1R,Tachykinin receptor 1 |
2 | A | (2~{S},3~{S})-~{N}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine | non-polymer | 296.4 | 1 | Chemie (GBK) |
Sequence modifications
A: 1 - 1219 (UniProt: P25103)
A: 1220 - 1413 (UniProt: Q9V2J8)
A: 238 - 335 (UniProt: P25103)
PDB | External Database | Details |
---|---|---|
Ala 74 | Leu 74 | engineered mutation |
Ile 116 | Val 116 | engineered mutation |
Leu 144 | Ala 144 | engineered mutation |
Lys 181 | Met 181 | engineered mutation |
Leu 215 | Ala 215 | engineered mutation |
Arg 224 | Trp 224 | engineered mutation |
Gly 1218 | Glu 227 | conflict |
A: 238 - 335 (UniProt: P25103)
PDB | External Database | Details |
---|---|---|
Ala 243 | Lys 243 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 59034.1 | |
Non-Polymers* | Number of molecules | 1 |
Total formula weight | 296.4 | |
All* | Total formula weight | 59330.5 |