2026-07-04_00000050
|
ligand
|
28OI
The crystal structure of zebrafish HDAC6 CD2 in complex with compound 2;
X-ray diffraction 1.98Å
Protein #1
364 residues (98% resolved)
Raw Sequence ...
SNAGGSSPITGLVYDQRMMLHHNMWDSHHPELPQRISRIFSRHEELRLLSRCHRIPARLATEEELALCHSSKHISIIKSSEHMKPRDLNRLGDEYNSIFISNESYTCALLAAGSCFNSAQAILTGQVRNAVAIVRPPGHHAEKDTACGFCFFNTAALTARYAQSITRESLRVLIVDWDVHHGNGTQHIFEEDDSVLYISLHRYEDGAFFPNSEDANYDKVGLGKGRGYNVNIPWNGGKMGDPEYMAAFHHLVMPIAREFAPELVLVSAGFDAARGDPLGGFQVTPEGYAHLTHQLMSLAAGRVLIILEGGYNLTSISESMSMCTSMLLGDSPPSLDHLTPLKTSATVSINNVLRAHAPFWSSLR
Canonical Sequence ...
SNAGGSSPITGLVYDQRMMLHHNMWDSHHPELPQRISRIFSRHEELRLLSRCHRIPARLATEEELALCHSSKHISIIKSSEHMKPRDLNRLGDEYNSIFISNESYTCALLAAGSCFNSAQAILTGQVRNAVAIVRPPGHHAEKDTACGFCFFNTAALTARYAQSITRESLRVLIVDWDVHHGNGTQHIFEEDDSVLYISLHRYEDGAFFPNSEDANYDKVGLGKGRGYNVNIPWNGGKMGDPEYMAAFHHLVMPIAREFAPELVLVSAGFDAARGDPLGGFQVTPEGYAHLTHQLMSLAAGRVLIILEGGYNLTSISESMSMCTSMLLGDSPPSLDHLTPLKTSATVSINNVLRAHAPFWSSLR
Non polymer #2
A1JZP
InChI=1S/C22H24N2O5/c25-21(23-27)17-6-7-18-13-24(22(26)16-8-10-28-11-9-16)19(14-29-20(18)12-17)15-4-2-1-3-5-15/h1-7,12,16,19,27H,8-11,13-14H2,(H,23,25)/t19-/m1/s1
InChI=1S/C22H24N2O5/c25-21(23-27)17-6-7-18-13-24(22(26)16-8-10-28-11-9-16)19(14-29-20(18)12-17)15-4-2-1-3-5-15/h1-7,12,16,19,27H,8-11,13-14H2,(H,23,25)/t19-/m1/s1
SMILES: c1ccc(cc1)[C@H]2COc3cc(ccc3CN2C(=O)C4CCOCC4)C(=O)NO
c1ccc(cc1)[C@H]2COc3cc(ccc3CN2C(=O)C4CCOCC4)C(=O)NO
Non polymer #3
K
InChI=1S/K/q+1
InChI=1S/K/q+1
SMILES: [K+]
[K+]
Non polymer #4
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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