8JWY
Crystal structure of A2AR-T4L in complex with 2-118
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A (A) | Adenosine receptor A2a,Endolysin | polymer | 481 | 54059.0 | 1 | UniProt (P29274) UniProt (D9IEF7) Pfam (PF00001) Pfam (PF00959) | Homo sapiens (human) | |
2 | B (A) | 3-[2-azanyl-6-[2-oxidanylidene-1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]pyridin-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile | non-polymer | 452.5 | 1 | Chemie (VBF) | |||
3 | C (A) | CHOLESTEROL | non-polymer | 386.7 | 1 | Chemie (CLR) | |||
4 | D, E, F, G, H... (A) | OLEIC ACID | non-polymer | 282.5 | 18 | Chemie (OLA) | |||
5 | L (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
6 | T (A) | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | non-polymer | 356.5 | 1 | Chemie (OLC) | |||
7 | X (A) | water | water | 18.0 | 207 | Chemie (HOH) |
Sequence modifications
A: 2 - 208 (UniProt: P29274)
A: 209 - 368 (UniProt: D9IEF7)
A: 369 - 463 (UniProt: P29274)
PDB | External Database | Details |
---|---|---|
Asp -7 | - | expression tag |
Tyr -6 | - | expression tag |
Lys -5 | - | expression tag |
Asp -4 | - | expression tag |
Asp -3 | - | expression tag |
Asp -2 | - | expression tag |
Asp -1 | - | expression tag |
Gly 0 | - | expression tag |
Ala 1 | - | expression tag |
PDB | External Database | Details |
---|---|---|
Thr 261 | Cys 54 | engineered mutation |
Ala 304 | Cys 97 | engineered mutation |
PDB | External Database | Details |
---|---|---|
His 464 | - | expression tag |
His 465 | - | expression tag |
His 466 | - | expression tag |
His 467 | - | expression tag |
His 468 | - | expression tag |
His 469 | - | expression tag |
His 470 | - | expression tag |
His 471 | - | expression tag |
His 472 | - | expression tag |
His 473 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 54059.0 | |
Non-Polymers* | Number of molecules | 22 |
Total formula weight | 6303.0 | |
All* | Total formula weight | 60361.9 |