MolNFT v1 · #55022 · protein
Structure of mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-3-(BENZO(B)THIOPHEN-2-ylmethoxy)-1,4,5- trihydroxy-2-(thiophen-2-YLMETHYL)CYCLOHEX-2-enecarboxylate
2Y77 · 3-dehydroquinate dehydratase: “Structure of mycobacterium tuberculosis type II dehydroquinase complexed with…”. X-ray diffraction, 2 ligands (CB8, SO4). MolNFT v1 #55022 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2Y77
- Type
- protein
- Length
- 134 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-dehydroquinate dehydratase
- EC
- 4.2.1.10
- UniProt
- P0A4Z6
- Ligands
- CB8, SO4
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-dehydroquinate dehydratase (EC 4.2.1.10) | protein | 134 | 46% helix, 19% strand | P0A4Z6 |
Ligands and binding sites
- CB8 · (1R,4S,5R)-3-(benzo[b]thiophen-2-yl)methoxy-1,4,5-trihydroxy-2-(thien-2-yl)methylcyclohex-2-en-1-carboxylate · ligand · chains A
- SO4 · Sulfate ion · ion · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 2Y77 · Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with… · 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 P0A4Z6
- Elsewhere: RCSB PDB 2Y77 · PDBe 2Y77 · UniProt P0A4Z6
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