MolNFT v1 · #146011 · protein
M. thermoresistible GUAB2 delta-cbs in complex with inhibitor compound 45 (VCC117054)
6D4T · Inosine-5'-monophosphate DEHYDROGENASE,INOSINE-5'…: “M. thermoresistible GUAB2 delta-cbs in complex with inhibitor compound 45 (VCC117054)”. X-ray diffraction, 2 ligands (IMP, FWS), 2 pockets (best druggability 0.73). MolNFT v1…
- PDB
- 6D4T
- Type
- protein
- Length
- 331 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inosine-5'-monophosphate DEHYDROGENASE,INOSINE-5'- monophosphate dehydrogenase
- EC
- 1.1.1.205
- UniProt
- G7CNL4
- Ligands
- IMP, FWS
- Pockets
- 2 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inosine-5'-monophosphate DEHYDROGENASE,INOSINE-5'- monophosphate dehydrogenase (EC 1.1.1.205) | protein | 331 | 37% helix, 20% strand | G7CNL4 |
Ligands and binding sites
- IMP · Inosinic acid · ligand · chains A
- FWS · (2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl) sulfonyl]-2-methylpiperazine-1-carboxamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 398 | 0.73 | 0.84 | 38 | IMP, FWS |
| 2 | 79 | 0.34 | 0.75 | 27 | empty |
Compared structures
- 6D4T · M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 45 (VCC117054) · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt G7CNL4
- Elsewhere: RCSB PDB 6D4T · PDBe 6D4T · UniProt G7CNL4
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