PDB
9XQB
Resolution
3.5 Å
Released
Jan. 7, 2026
Receptor
A2A
Class
A
Species
Homo sapiens
Ligand
Fab antibody fragment (mAb16) (chain A)
Function
Inverse agonist
Reference
10.1021/ACSOMEGA.5C11109

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Ligand Amino Acid Generic Number Segment Interaction Type
Fab antibody fragment (mAb16) (chain A) A80 ECL1 Van der Waals
Fab antibody fragment (mAb16) (chain A) C81 3.22x22 TM3 polar (hydrogen bond with backbone)
Fab antibody fragment (mAb16) (chain A) C81 3.22x22 TM3 Van der Waals
Fab antibody fragment (mAb16) (chain A) N152 ECL2 polar (hydrogen bond with backbone)
Fab antibody fragment (mAb16) (chain A) N152 ECL2 Van der Waals
Fab antibody fragment (mAb16) (chain A) Q155 ECL2 polar (hydrogen bond with backbone)
Fab antibody fragment (mAb16) (chain A) Q155 ECL2 Van der Waals
Fab antibody fragment (mAb16) (chain A) P156 ECL2 Van der Waals
Fab antibody fragment (mAb16) (chain A) K157 ECL2 Van der Waals
Fab antibody fragment (mAb16) (chain A) Q161 ECL2 polar (hydrogen bond with backbone)
Fab antibody fragment (mAb16) (chain A) Q161 ECL2 Van der Waals
Fab antibody fragment (mAb16) (chain A) H162 ECL2 polar (hydrogen bond with backbone)
Fab antibody fragment (mAb16) (chain A) H162 ECL2 Van der Waals
Fab antibody fragment (mAb16) (chain A) G165 ECL2 polar (hydrogen bond with backbone)
Fab antibody fragment (mAb16) (chain A) G165 ECL2 Van der Waals
Fab antibody fragment (mAb16) (chain A) G167 ECL2 Van der Waals
Fab antibody fragment (mAb16) (chain A) E168 ECL2 Van der Waals
Fab antibody fragment (mAb16) (chain A) G169 ECL2 Van der Waals

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Snake plot — Download: PNG | SVG
ICL1 S N L Q ICL1ECL1 F C A ECL1ICL2 P L R Y N G L V ICL2ECL2 W N N C G Q P K E G K N H S Q G C G E G Q V A C L F E D V V ECL2ICL3 Q P L P G ICL3ECL3 P D C S H A ECL3C-term K A A G T S A R V L A A H G S D G E Q V S L R L N G H P P G V W A N G S A P H P E R R P N G Y A L G L V S G G S A Q E S Q G N T G L P D V E L L S H E L K G V C P E P P G L D D P L A Q D G A G V S C-term M P I M G S S V Y I T V E L A I A V L A I L G N V L V C W A V W L N N V T N Y F V V S L A A A D I A V G V L A I P F A I T I S T G A C H G C L F I A C F V L V L T Q S S I F S L L A I A I D R Y I A I R I T G T R A K G I I A I C W V L S F A I G L T P M L G P M N Y M V Y F N F F A C V L V P L L L M L G V Y L R I F L A A R R Q L K Q M E S E R A R S T L Q K E V H A A K S L A I I V G L F A L C W L P L H I I N C F T F F C P L W L M Y L A I V L S H T N S V V N P F I Y A Y R I R E F R K H V L P F F R Q T I I R S R Q Q E
Helix box plot — Download: PNG | SVG V N G L I A L V A I A L E V T I Y V S S 1 V S L A A A D I A V G L V A I P F A I T I 2 A L L S F I S S Q T L V L V F C A I F L 3 A K G I I A I C W V L S F A I G L T P M 4 Y V G L M L L L P V L V C A F F N F Y V M Y 5 A I I V G L F A L C W L P L H I I N C F 6 F P N V V S N T H S L V I A L Y M L W 7

GPCRdb(A)
GPCRdb(A)
A2A receptor
TM3
3x22 3.22x22 C74