MolNFT v1 · #129251 · protein
Mycobacterium tuberculosis DPRE1 in complex with inhibitor TCA020
5OEQ: “Mycobacterium tuberculosis DPRE1 in complex with inhibitor TCA020”. X-ray diffraction, 2 ligands (FAD, P95). MolNFT v1 #129251 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5OEQ
- Type
- protein
- Length
- 843 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- I6X8C4
- Ligands
- FAD, P95
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 426 | — | I6X8C4 |
| B | — | protein | 417 | — | I6X8C4 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- P95 · ~{N}-[3-(pyrimidin-2-ylcarbamoyl)thiophen-2-yl]-[1, 3]thiazolo[4,5-c]pyridine-2-carboxamide · ligand · chains A
- IMD · Imidazole · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5OEQ · Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA020 · 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 I6X8C4
- Elsewhere: RCSB PDB 5OEQ · PDBe 5OEQ · UniProt I6X8C4
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