Structure of DCN1 bound to N-((4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-3-(trifluoromethyl)benzamide. Determined by X-ray diffraction at 1.57 Å resolution. Released 14 Jul 2021.
Explore 7KWA in 3D Show helices and sheets RCSB PDB PDBe
7KWA contains 23 α-helices and 11 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.
| Element | Residues | Length | Sheet |
|---|---|---|---|
| α-helix | -8--5 | 4 | |
| α-helix | 3-10 | 8 | |
| β-strand | 14-15 | 2 | 1 |
| β-strand | 16 | 1 | 2 |
| β-strand | 17-19 | 3 | 1 |
| β-strand | 25-28 | 4 | 1 |
| β-strand | 31-34 | 4 | 1 |
| α-helix | 39-50 | 12 | |
| β-strand | 57 | 1 | 2 |
| α-helix | 60-79 | 20 | |
| α-helix | 85-90 | 6 | |
| α-helix | 93-112 | 20 | |
| α-helix | 115-122 | 8 | |
| α-helix | 126-134 | 9 | |
| α-helix | 137-141 | 5 | |
| α-helix | 143-155 | 13 | |
| α-helix | 159-1072 | 17 | |
| β-strand | 1073-1074 | 2 | 3 |
| β-strand | 1077-1081 | 5 | 3 |
| α-helix | 1083-1092 | 10 | |
| α-helix | 1100-1108 | 9 | |
| β-strand | 1117-1118 | 2 | 3 |
| α-helix | 1119-1129 | 11 | |
| α-helix | 1134-1147 | 14 | |
| α-helix | 1151-1165 | 15 | |
| β-strand | 1173-1174 | 2 | 4 |
| α-helix | 1175-1186 | 12 | |
| α-helix | 1193-1201 | 9 | |
| α-helix | 1204-1205 | 2 | |
| β-strand | 1207-1208 | 2 | 4 |
| α-helix | 1209 | 1 | |
| α-helix | 1210-1222 | 13 | |
| α-helix | 1238-1246 | 9 | |
| α-helix | 1248-1255 | 8 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Endolysin,DCN1-like protein 1 | A | protein | 384 | Enterobacteria phage RB59, Homo sapiens | A0A097J809, Q96GG9 (AlphaFold model) |
>7KWA_1 Endolysin,DCN1-like protein 1 (chains A) MGSSHHHHHHSQDLENLYFQGSMNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPS LNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAA LINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRTKRVITTFRTGTW DAYKNLRKKLEQLYNRYKDPQDENKIGIDGIQQFCDDLALDPASISVLIIAWKFRAATQC EFSKQEFMDGMTELGCDSIEKLKAQIPKMEQELKEPGRFKDFYQFTFNFAKNPGQKGLDL EMAIAYWNLVLNGRFKFLDLWNKFLLEHHKRSIPKDTWNLLLDFSTMIADDMSNYDEEGA WPVLIDDFVEFARPQIAGTKSTTV
| ID | Name | Formula | Copies |
|---|---|---|---|
| YHP | N-[(4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-te… | C29 H25 F4 N5 O2 | 1 |
Improvement of Oral Bioavailability of Pyrazolo-Pyridone Inhibitors of the Interaction of DCN1/2 and UBE2M. Kim, H.S., Hammill, J.T., Scott, D.C. et al. J Med Chem (2021) 64:5850-5862. DOI 10.1021/acs.jmedchem.1c00035 · PubMed
Other PDB entries of the same protein (UniProt A0A097J809), best resolution first:
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