MolNFT v1 · #146009 · protein
M. thermoresistible GUAB2 delta-cbs in complex with inhibitor compound 18 (VCC399134)
6D4R · Inosine-5'-monophosphate DEHYDROGENASE,INOSINE-5'…: “M. thermoresistible GUAB2 delta-cbs in complex with inhibitor compound 18 (VCC399134)”. X-ray diffraction, 2 ligands (IMP, FWY), 3 pockets (best druggability 0.75). MolNFT v1…
- PDB
- 6D4R
- Type
- protein
- Length
- 332 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, FWY
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 36% 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 | 332 | 36% helix, 20% strand | G7CNL4 |
Ligands and binding sites
- IMP · Inosinic acid · ligand · chains A
- FWY · hydroxy(3-{4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carbonyl}phenyl)oxoammonium · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 406 | 0.75 | 0.85 | 42 | IMP, FWY |
| 2 | 63 | 0.28 | 0.73 | 18 | empty |
| 3 | 56 | 0.26 | 0.73 | 15 | empty |
Compared structures
- 6D4R · M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 18 (VCC399134) · 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 6D4R · PDBe 6D4R · UniProt G7CNL4
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