9UIP
Cryo-EM structure of the human NK1 tachykinin receptor bound to the antagonist aprepitant resolved via the fusion/crosslinking strategy
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Substance-P receptor | polymer | 354 | 40790.0 | 1 | UniProt (P25103) Pfam (PF00001) | Homo sapiens (human) | SPR,NK-1 receptor,NK-1R,Tachykinin receptor 1 |
| 2 | B (B) | Green fluorescent protein | polymer | 196 | 22388.3 | 1 | UniProt (A0A059PIQ0) | Aequorea victoria | |
| 3 | C (C) | GFP-clamp E186C | polymer | 294 | 31038.7 | 1 | synthetic construct | ||
| 4 | D (A) | 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one | non-polymer | 534.4 | 1 | Chemie (GBQ) |
Sequence modifications
A: 1 - 223 (UniProt: P25103)
A: 244 - 335 (UniProt: P25103)
B: 4 - 198 (UniProt: A0A059PIQ0)
| PDB | External Database | Details |
|---|---|---|
| Ala 74 | Leu 74 | conflict |
| Ile 116 | Val 116 | conflict |
| Cys 138 | Leu 138 | conflict |
| Leu 144 | Ala 144 | conflict |
| Lys 181 | Met 181 | conflict |
| Leu 215 | Ala 215 | conflict |
| PDB | External Database | Details |
|---|---|---|
| Arg 1001 | - | linker |
| Arg 1002 | - | linker |
| Gln 1003 | - | linker |
| Leu 1004 | - | linker |
| Gly 1005 | - | linker |
| His 1006 | - | linker |
| Tyr 1007 | - | linker |
| Leu 1008 | - | linker |
| Ser 1009 | - | linker |
| Thr 1010 | - | linker |
| Gln 1011 | - | linker |
| Thr 1012 | - | linker |
| Ser 1013 | - | linker |
| Leu 1014 | - | linker |
| Ser 1015 | - | linker |
| Lys 1016 | - | linker |
| Asp 1017 | - | linker |
| Leu 1018 | - | linker |
| Asn 1019 | - | linker |
| Glu 1020 | - | linker |
| Lys 1021 | - | linker |
| Arg 1022 | - | linker |
| Asp 1023 | - | linker |
| His 1024 | - | linker |
| Met 1025 | - | linker |
| Val 1026 | - | linker |
| Leu 1027 | - | linker |
| Leu 1028 | - | linker |
| Glu 1029 | - | linker |
| Phe 1030 | - | linker |
| Val 1031 | - | linker |
| Thr 1032 | - | linker |
| Ala 1033 | - | linker |
| Ala 1034 | - | linker |
| Gly 1035 | - | linker |
| Leu 1036 | - | linker |
| Gln 1037 | - | linker |
| Lys 1038 | - | linker |
| Glu 1039 | - | linker |
| PDB | External Database | Details |
|---|---|---|
| Met 1 | - | initiating methionine |
| Gly 2 | - | expression tag |
| Thr 3 | - | expression tag |
| Ile 18 | Val 16 | conflict |
| Arg 32 | Ser 30 | conflict |
| Tyr 41 | Asn 39 | conflict |
| Cro 68 | Thr 65 | chromophore |
| Cro 68 | Tyr 66 | chromophore |
| Cro 68 | Gly 67 | chromophore |
| Ser 74 | Ala 72 | conflict |
| Arg 82 | Gln 80 | conflict |
| Tyr 101 | Ser 99 | conflict |
| Met 155 | Thr 153 | conflict |
| Asn 160 | Lys 158 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 94217.0 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 534.4 | |
| All* | Total formula weight | 94751.4 |
