Research workbench
Binary complex of human type-I inosine monophosphate dehydrogenase with 6-cl-imp
Analyse Binary complex of human type-I inosine monophosphate dehydrogenase with 6-cl-imp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1JCN
- Type
- protein
- Length
- 790 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inosine monophosphate dehydrogenase I
- EC
- 1.1.1.205
- UniProt
- P20839
- Ligands
- CPR
- Pockets
- 11 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Inosine monophosphate dehydrogenase I (EC 1.1.1.205) | protein | 395 | 31% helix, 15% strand | P20839 |
Ligands and binding sites
- CPR · 6-chloropurine riboside, 5'-monophosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 379 | 0.67 | 0.81 | 36 | CPR |
| 2 | 367 | 0.67 | 0.81 | 37 | CPR |
| 3 | 148 | 0.58 | 0.83 | 32 | empty |
| 4 | 55 | 0.49 | 0.86 | 15 | empty |
| 5 | 75 | 0.42 | 0.80 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 495 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 1JCN · Binary complex of human type-I inosine monophosphate dehydrogenase with 6-cl-imp · the same entry in another collection · chain A against A, TM-score 1.00
- P20839 · AlphaFold monomer V2.0 prediction for inosine-5'-monophosphate dehydrogenase 1 (P20839) · a predicted model of the same protein · chain A against A, TM-score 0.87
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 P20839
- Elsewhere: RCSB PDB 1JCN · PDBe 1JCN · UniProt P20839
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