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6WH4

Crystal structure of HTR2A with inverse agonist

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A, B, C
(A, B, C)
5-hydroxytryptamine receptor 2A,Soluble cytochrome b562 fusionpolymer44850534.93UniProt (P28223)
UniProt (P0ABE7)
Pfam (PF00001)
Pfam (PF07361)
Homo sapiens (Human)5-HT-2A,Serotonin receptor 2A,Cytochrome b-562
2D, I, L
(A, B, C)
1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazinenon-polymer356.53Chemie (89F)
3E, F, K, Q
(A, B, C)
OLEIC ACIDnon-polymer282.54Chemie (OLA)
4G, M
(A, C)
CHOLESTEROLnon-polymer386.72Chemie (CLR)
5H, J, N, O
(A, B, C)
DI(HYDROXYETHYL)ETHERnon-polymer106.14Chemie (PEG)
6P
(C)
ETHYL DIMETHYL AMMONIO PROPANE SULFONATEnon-polymer195.31Chemie (NDS)
7R
(C)
PENTAETHYLENE GLYCOLnon-polymer238.31Chemie (1PE)
Sequence modifications
A, B, C: 66 - 265 (UniProt: P28223)
PDBExternal DatabaseDetails
Met 40-initiating methionine
Lys 41-expression tag
Thr 42-expression tag
Ile 43-expression tag
Ile 44-expression tag
Ala 45-expression tag
Leu 46-expression tag
Ser 47-expression tag
Tyr 48-expression tag
Ile 49-expression tag
Phe 50-expression tag
Cys 51-expression tag
Leu 52-expression tag
Val 53-expression tag
Phe 54-expression tag
Ala 55-expression tag
Asp 56-expression tag
Tyr 57-expression tag
Lys 58-expression tag
Asp 59-expression tag
Asp 60-expression tag
Asp 61-expression tag
Asp 62-expression tag
Gly 63-expression tag
Ala 64-expression tag
Pro 65-expression tag
Ala 247Leu 247conflict
A, B, C: 1001 - 1106 (UniProt: P0ABE7)
PDBExternal DatabaseDetails
Trp 1007Met 29conflict
Ile 1102His 124conflict
Leu 1106Arg 128conflict
A, B, C: 311 - 405 (UniProt: P28223)
PDBExternal DatabaseDetails
Ala 371Leu 371conflict
Gly 406-expression tag
Arg 407-expression tag
Pro 408-expression tag
Leu 409-expression tag
Glu 410-expression tag
Val 411-expression tag
Leu 412-expression tag
Phe 413-expression tag
Gln 414-expression tag
Gly 415-expression tag
Pro 416-expression tag
His 417-expression tag
His 418-expression tag
His 419-expression tag
His 420-expression tag
His 421-expression tag
His 422-expression tag
His 423-expression tag
His 424-expression tag
His 425-expression tag
His 426-expression tag
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains3
Total formula weight151604.8
Non-Polymers*Number of molecules15
Total formula weight3830.8
All*Total formula weight155435.6
*Water molecules are not included.

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PDB entries from 2024-11-06

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