MolNFT v1 · #173056 · protein
Mlghb, GDP-mannoheptose C3,5 epimerase from campylobacter jejuni complex with GDP-mannose
7AN4 · Thymidine diphospho-4-keto-rhamnose 3,5-epimerase: “Mlghb, GDP-mannoheptose C3,5 epimerase from campylobacter jejuni complex with GDP-mannose”. X-ray diffraction, 1 ligand (GDP), 9 pockets (best druggability 0.79). MolNFT v1 #173056…
- PDB
- 7AN4
- Type
- protein
- Length
- 708 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thymidine diphospho-4-keto-rhamnose 3,5-epimerase
- EC
- 5.1.3.13
- UniProt
- A0A2U0QM91
- Ligands
- GDP
- Pockets
- 9 · best druggability 0.79
Structure
x-ray diffraction · 4 distinct chains · 8% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thymidine diphospho-4-keto-rhamnose 3,5-epimerase (EC 5.1.3.13) | protein | 178 | 8% helix, 47% strand | A0A2U0QM91 |
| B | Thymidine diphospho-4-keto-rhamnose 3,5-epimerase (EC 5.1.3.13) | protein | 177 | 8% helix, 48% strand | A0A2U0QM91 |
| C | Thymidine diphospho-4-keto-rhamnose 3,5-epimerase (EC 5.1.3.13) | protein | 177 | 8% helix, 45% strand | A0A2U0QM91 |
| D | Thymidine diphospho-4-keto-rhamnose 3,5-epimerase (EC 5.1.3.13) | protein | 176 | 9% helix, 45% strand | A0A2U0QM91 |
Ligands and binding sites
- GDP · Guanosine-5'-diphosphate · ligand · 4 copies · chains A, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 844 | 0.79 | 0.82 | 79 | empty |
| 2 | 357 | 0.77 | 0.87 | 48 | GDP |
| 3 | 289 | 0.73 | 0.86 | 35 | GDP |
| 4 | 581 | 0.64 | 0.75 | 50 | empty |
| 5 | 123 | 0.54 | 0.82 | 26 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1739 Ų buried · 36 hydrogen bonds · protein-protein
- B–D · 571 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 305 Ų buried · 1 hydrogen bond · protein-protein
- C–D · 141 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 91 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 7AN4 · MlghB, GDP-mannoheptose C3,5 epimerase from Campylobacter jejuni complex with GDP-mannose · 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 A0A2U0QM91
- Elsewhere: RCSB PDB 7AN4 · PDBe 7AN4 · UniProt A0A2U0QM91
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.