Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T08919 | Target Info | |||
| Target Name | Epithelial cadherin (CDH1) | ||||
| Synonyms | Uvomorulin; UVO; E-cadherin gene; E-cadherin; Cadherin-1; CDHE; CD324; CAM 120/80 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | CDH1 | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Alpha-D-Mannose | Ligand Info | |||||
| Structure Description | Crystal Structure of Human E-cadherin EC1-5 bound by mouse monoclonal antibody Fab mAb-1_19A11 | PDB:7STZ | ||||
| Method | X-ray diffraction | Resolution | 2.95 Å | Mutation | No | [1] |
| PDB Sequence |
DWVIPPISCP
10 ENEKGPFPKN20 LVQIKSNKDK30 EGKVFYSITG40 QGADTPPVGV50 FIIERETGWL 60 KVTEPLDRER70 IATYTLFSHA80 VSSNGNAVED90 PMEILITVTD100 QNDNKPEFTQ 110 EVFKGSVMEG120 ALPGTSVMEV130 TATDADDDVN140 TYNAAIAYTI150 LSQDPELPDK 160 NMFTINRNTG170 VISVVTTGLD180 RESFPTYTLV190 VQAADLQGEG200 LSTTATAVIT 210 VTDTNDNPPI220 FNPTTYKGQV230 PENEANVVIT240 TLKVTDADAP250 NTPAWEAVYT 260 ILNDDGGQFV270 VTTNPVNNDG280 ILKTAKGLDF290 EAKQQYILHV300 AVTNVVPFEV 310 SLTTSTATVT320 VDVLDVNEAP330 IFVPPEKRVE340 VSEDFGVGQE350 ITSYTAQEPD 360 TFMEQKITYR370 IWRDTANWLE380 INPDTGAIST390 RAELDREDFE400 HVKNSTYTAL 410 IIATDNGSPV420 ATGTGTLLLI430 LSDVNDNAPI440 PEPRTIFFCE450 RNPKPQVINI 460 IDADLPPNTS470 PFTAELTHGA480 SANWTIQYND490 PTQESIILKP500 KMALEVGDYK 510 INLKLMDNQN520 KDQVTTLEVS530 VCDCEGAAGV540
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| Ligand Name: Beta-D-Mannose | Ligand Info | |||||
| Structure Description | Crystal Structure of Human E-cadherin EC1-5 bound by mouse monoclonal antibody Fab mAb-1_19A11 | PDB:7STZ | ||||
| Method | X-ray diffraction | Resolution | 2.95 Å | Mutation | No | [1] |
| PDB Sequence |
DWVIPPISCP
10 ENEKGPFPKN20 LVQIKSNKDK30 EGKVFYSITG40 QGADTPPVGV50 FIIERETGWL 60 KVTEPLDRER70 IATYTLFSHA80 VSSNGNAVED90 PMEILITVTD100 QNDNKPEFTQ 110 EVFKGSVMEG120 ALPGTSVMEV130 TATDADDDVN140 TYNAAIAYTI150 LSQDPELPDK 160 NMFTINRNTG170 VISVVTTGLD180 RESFPTYTLV190 VQAADLQGEG200 LSTTATAVIT 210 VTDTNDNPPI220 FNPTTYKGQV230 PENEANVVIT240 TLKVTDADAP250 NTPAWEAVYT 260 ILNDDGGQFV270 VTTNPVNNDG280 ILKTAKGLDF290 EAKQQYILHV300 AVTNVVPFEV 310 SLTTSTATVT320 VDVLDVNEAP330 IFVPPEKRVE340 VSEDFGVGQE350 ITSYTAQEPD 360 TFMEQKITYR370 IWRDTANWLE380 INPDTGAIST390 RAELDREDFE400 HVKNSTYTAL 410 IIATDNGSPV420 ATGTGTLLLI430 LSDVNDNAPI440 PEPRTIFFCE450 RNPKPQVINI 460 IDADLPPNTS470 PFTAELTHGA480 SANWTIQYND490 PTQESIILKP500 KMALEVGDYK 510 INLKLMDNQN520 KDQVTTLEVS530 VCDCEGAAGV540
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GLU111
3.034
VAL112
3.958
SER126
1.502
VAL127
3.213
MET128
3.783
GLU129
3.166
VAL171
3.916
THR188
4.732
VAL190
3.654
ALA205
4.119
THR206
1.437
THR224
3.953
THR225
3.531
HIS299
4.435
THR303
3.622
PHE308
4.740
LEU312
3.525
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| Ligand Name: N-{[(2s,5s)-1-Benzyl-5-(2-{[(2s,3s)-1-(Tert-Butylamino)-3-Methyl-1-Oxopentan-2-Yl]amino}-2-Oxoethyl)-3,6-Dioxopiperazin-2-Yl]methyl}-L-Alpha-Asparagine | Ligand Info | |||||
| Structure Description | Crystal structure of human E-Cadherin (residues 3-213) in complex with a peptidomimetic inhibitor | PDB:4ZTE | ||||
| Method | X-ray diffraction | Resolution | 2.13 Å | Mutation | No | [2] |
| PDB Sequence |
IPPISCPENE
13 KGPFPKNLVQ23 IKSNKDKEGK33 VFYSITGQGA43 DTPPVGVFII53 ERETGWLKVT 63 EPLDRERIAT73 YTLFSHAVSS83 NGNAVEDPME93 ILITVTDQND103 NKPEFTQEVF 113 KGSVMEGALP123 GTSVMEVTAT133 DADDDVNTYN143 AAIAYTILSQ153 DPELPDKNMF 163 TINRNTGVIS173 VVTTGLDRES183 FPTYTLVVQA193 ADLQGEGLST203 TATAVITVTD 213
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Regulation of multiple dimeric states of E-cadherin by adhesion activating antibodies revealed through Cryo-EM and X-ray crystallography. PNAS Nexus. 2022 Aug 19;1(4):pgac163. | ||||
| REF 2 | Crystal Structure of Human E-Cadherin-EC1EC2 in Complex with a Peptidomimetic Competitive Inhibitor of Cadherin Homophilic Interaction. J Med Chem. 2016 May 26;59(10):5089-94. | ||||
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