Attributes
UniProt ID
Protein Name
D-erythrose-4-phosphate dehydrogenase
Ligand Name
3-(CHLOROACETYL) PYRIDINE ADENINE DINUCLEOTIDE
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
XIQCGHNADRRDKB-RBEMOOQDSA-O
SMILES
c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)CCl
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 2XF8
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Color Legend
Unassigned regionsLigand / hetero atomse2xf8A1e2xf8A2e2xf8B1e2xf8B2e2xf8C1e2xf8C2e2xf8D3e2xf8D4e2xf8E1e2xf8E2e2xf8F1e2xf8F2e2xf8G1e2xf8G2e2xf8H3e2xf8H4e2xf8I1e2xf8I2e2xf8J1e2xf8J2e2xf8K1e2xf8K2e2xf8L1e2xf8L2e2xf8M1e2xf8M2e2xf8N1e2xf8N2e2xf8O1e2xf8O2e2xf8P3e2xf8P4
ECOD domains from experimental PDB structures interacting with ligand 3CD
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P0A9B6 | n/a | 3CD | 2xf8 | e2xf8A1 | A:149-301 |
| P0A9B6 | n/a | 3CD | 2xf8 | e2xf8A2 | A:0-148,A:302-332 |
| P0A9B6 | n/a | 3CD | 2xf8 | e2xf8B2 | B:0-148,B:313-333 |
| P0A9B6 | n/a | 3CD | 2xf8 | e2xf8C1 | C:149-312 |
| P0A9B6 | n/a | 3CD | 2xf8 | e2xf8C2 | C:0-148,C:313-331 |
| P0A9B6 | n/a | 3CD | 2xf8 | e2xf8E1 | E:149-312 |
| P0A9B6 | n/a | 3CD | 2xf8 | e2xf8E2 | E:0-148,E:313-331 |
| P0A9B6 | n/a | 3CD | 2xf8 | e2xf8G1 | G:149-312 |
| P0A9B6 | n/a | 3CD | 2xf8 | e2xf8G2 | G:0-148,G:313-331 |
| P0A9B6 | n/a | 3CD | 2xf8 | e2xf8H3 | H:0-148,H:313-331 |
| P0A9B6 | n/a | 3CD | 2xf8 | e2xf8I1 | I:149-312 |
| P0A9B6 | n/a | 3CD | 2xf8 | e2xf8I2 | I:0-148,I:313-332 |
| P0A9B6 | n/a | 3CD | 2xf8 | e2xf8J2 | J:0-148,J:313-333 |
| P0A9B6 | n/a | 3CD | 2xf8 | e2xf8K1 | K:149-312 |
| P0A9B6 | n/a | 3CD | 2xf8 | e2xf8K2 | K:0-148,K:311-331 |
| P0A9B6 | n/a | 3CD | 2xf8 | e2xf8M1 | M:149-301 |
| P0A9B6 | n/a | 3CD | 2xf8 | e2xf8M2 | M:0-148,M:302-333 |
| P0A9B6 | n/a | 3CD | 2xf8 | e2xf8O1 | O:149-312 |
| P0A9B6 | n/a | 3CD | 2xf8 | e2xf8O2 | O:0-148,O:311-331 |
| P0A9B6 | n/a | 3CD | 2xf8 | e2xf8P3 | P:0-148,P:313-331 |