2024-01-13_00000321
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hard
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8WDT
Crystal structure of the human adenosine A2A receptor in complex with photoresponsive ligand photoNECA(blue);
X-ray diffraction 3.34Å
Protein #1
351 residues (85% resolved)
Raw Sequence ...
MKTIIALSYIFCLVFADYKDDDDGAPPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLAIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKQHSQGCGEGQVACLFEDVVPMNYMVYFNFFLCVLVPLLLMLGVYLAIFLAARRQAKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYAAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAHHHHHHHHHH
Canonical Sequence ...
MKTIIALSYIFCLVFADYKDDDDGAPPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLAIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKQHSQGCGEGQVACLFEDVVPMNYMVYFNFFLCVLVPLLLMLGVYLAIFLAARRQAKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYAAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAHHHHHHHHHH
Protein #2
213 residues (100% resolved)
Raw Sequence ...
DIVMTQSPAIMSASPGEKVTITCSASSSVTYMHWFQQKPGTSPKLWIYSTSNLASGVPARFSGSGSGTSYSLTISRMEAEDAATYYCQQRSTYPLTFGAGTKLELRRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC
Canonical Sequence ...
DIVMTQSPAIMSASPGEKVTITCSASSSVTYMHWFQQKPGTSPKLWIYSTSNLASGVPARFSGSGSGTSYSLTISRMEAEDAATYYCQQRSTYPLTFGAGTKLELRRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC
Protein #3
224 residues (100% resolved)
Raw Sequence ...
EVQLQQSGPELVKPGASVKISCKTSGYTFTEFTMHWVKQSHGKSLEWIGGIDPHNGDTSYNQKFKGKATLTVDKSSSTAYMDLRSLTSEDSAVYYCTRDYYDYHYWYFDVWGAGTTVTVSSAKTTAPSVYPLAPVCGDTTGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPRGPT
Canonical Sequence ...
EVQLQQSGPELVKPGASVKISCKTSGYTFTEFTMHWVKQSHGKSLEWIGGIDPHNGDTSYNQKFKGKATLTVDKSSSTAYMDLRSLTSEDSAVYYCTRDYYDYHYWYFDVWGAGTTVTVSSAKTTAPSVYPLAPVCGDTTGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPRGPT
Non polymer #4
WCH
InChI=1S/C18H20N8O4/c1-2-20-16(29)13-11(27)12(28)17(30-13)26-8-21-10-14(19)22-18(23-15(10)26)25-24-9-6-4-3-5-7-9/h3-8,11-13,17,27-28H,2H2,1H3,(H,20,29)(H2,19,22,23)/b25-24+/t11-,12+,13-,17+/m0/s1
InChI=1S/C18H20N8O4/c1-2-20-16(29)13-11(27)12(28)17(30-13)26-8-21-10-14(19)22-18(23-15(10)26)25-24-9-6-4-3-5-7-9/h3-8,11-13,17,27-28H,2H2,1H3,(H,20,29)(H2,19,22,23)/b25-24+/t11-,12+,13-,17+/m0/s1
SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)/N=N/c4ccccc4)O)O
CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)/N=N/c4ccccc4)O)O
Biounit #1
hetero-1-1-1-mer
Download coordinates
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Model
Reference
100%