5O9H
Crystal structure of thermostabilised human C5a anaphylatoxin chemotactic receptor 1 (C5aR) in complex with NDT9513727
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | C5a anaphylatoxin chemotactic receptor 1 | polymer | 317 | 35742.4 | 2 | UniProt (P21730) Pfam (PF00001) In PDB | Homo sapiens (Human) | C5a anaphylatoxin chemotactic receptor,C5aR |
2 | A, B | 1-(1,3-benzodioxol-5-yl)-~{N}-(1,3-benzodioxol-5-ylmethyl)-~{N}-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]methanamine | non-polymer | 573.7 | 2 | Chemie (9P2) | |||
3 | A, B | L(+)-TARTARIC ACID | non-polymer | 150.1 | 3 | Chemie (TLA) | |||
4 | B, A | OLEIC ACID | non-polymer | 282.5 | 32 | Chemie (OLA) | |||
5 | B | CITRIC ACID | non-polymer | 192.1 | 1 | Chemie (CIT) | |||
6 | water | water | 18.0 | 71 | Chemie (HOH) |
Sequence modifications
A, B: 31 - 333 (UniProt: P21730)
PDB | External Database | Details |
---|---|---|
Met 30 | - | initiating methionine |
Ala 85 | Ser 85 | engineered mutation |
Ala 91 | Ile 91 | engineered mutation |
Ala 142 | Ile 142 | engineered mutation |
Arg 146 | Asn 146 | engineered mutation |
Leu 156 | Ala 156 | engineered mutation |
Ala 172 | Phe 172 | engineered mutation |
Ala 232 | Arg 232 | engineered mutation |
Glu 234 | Ala 234 | engineered mutation |
Glu 311 | Leu 311 | engineered mutation |
Glu 317 | Ser 317 | engineered mutation |
Glu 321 | Asn 321 | engineered mutation |
Ala 334 | - | expression tag |
Ala 335 | - | expression tag |
Ala 336 | - | expression tag |
His 337 | - | expression tag |
His 338 | - | expression tag |
His 339 | - | expression tag |
His 340 | - | expression tag |
His 341 | - | expression tag |
His 342 | - | expression tag |
His 343 | - | expression tag |
His 344 | - | expression tag |
His 345 | - | expression tag |
His 346 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 71484.9 | |
Non-Polymers* | Number of molecules | 38 |
Total formula weight | 10828.5 | |
All* | Total formula weight | 82313.4 |