Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T99397 | Target Info | |||
| Target Name | Voltage-dependent anion-selective channel 1 (VDAC1) | ||||
| Synonyms | Porin 31HM; Porin 31HL; Plasmalemmal porin; Outer mitochondrial membrane protein porin 1 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | VDAC1 | ||||
| Biochemical Class | Eukaryotic mitochondrial porin | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Dimyristoylphosphatidylcholine, DL- | Ligand Info | |||
| Canonical SMILES | CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC | ||||
| InChI | 1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3 | ||||
| InChIKey | CITHEXJVPOWHKC-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 26197 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6G6U The dynamic nature of the VDAC1 channels in bilayers: human VDAC1 at 2.7 Angstrom resolution | ||||||
| Method | X-ray diffraction | Resolution | 2.74 Å | Mutation | No | [1] |
| PDB Sequence |
AVPPTYADLG
11 KSARDVFTKG21 YGFGLIKLDL31 KTKSENGLEF41 TSSGSANTET51 TKVTGSLETK 61 YRWTEYGLTF71 TEKWNTDNTL81 GTEITVEDQL91 ARGLKLTFDS101 SFSPNTGKKN 111 AKIKTGYKRE121 HINLGCDMDF131 DIAGPSIRGA141 LVLGYEGWLA151 GYQMNFETAK 161 SRVTQSNFAV171 GYKTDEFQLH181 TNVNDGTEFG191 GSIYQKVNKK201 LETAVNLAWT 211 AGNSNTRFGI221 AAKYQIDPDA231 CFSAKVNNSS241 LIGLGYTQTL251 KPGIKLTLSA 261 LLDGKNVNAG271 GHKLGLGLEF281 QA
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| PDB ID: 6G73 The dynamic nature of the VDAC1 channels in bilayers: human VDAC1 at 3.3 Angstrom resolution | ||||||
| Method | X-ray diffraction | Resolution | 3.27 Å | Mutation | No | [2] |
| PDB Sequence |
AVPPTYADLG
11 KSARDVFTKG21 YGFGLIKLDL31 KTKSENGLEF41 TSSGSANTET51 TKVTGSLETK 61 YRWTEYGLTF71 TEKWNTDNTL81 GTEITVEDQL91 ARGLKLTFDS101 SFSPNTGKKN 111 AKIKTGYKRE121 HINLGCDMDF131 DIAGPSIRGA141 LVLGYEGWLA151 GYQMNFETAK 161 SRVTQSNFAV171 GYKTDEFQLH181 TNVNDGTEFG191 GSIYQKVNKK201 LETAVNLAWT 211 AGNSNTRFGI221 AAKYQIDPDA231 CFSAKVNNSS241 LIGLGYTQTL251 KPGIKLTLSA 261 LLDGKNVNAG271 GHKLGLGLEF281 QA
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | The dynamic nature of the VDAC1 channels in bilayers as revealed by two crystal structures of the human isoform in bicelles at 2.7 and 3.3 Angstrom resolution: implications for VDAC1 voltage-dependent mechanism and for its oligomerization | ||||
| REF 2 | The dynamic nature of the VDAC1 channels in bilayers as revealed by two crystal structures of the human isoform in bicelles at 2.7 and 3.3 Angstrom resolution: implications for VDAC1 voltage-dependent mechanism and for its oligomerization | ||||
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