Research workbench
Crystal structure of core-mannan synthase a (CMSA/KTR4) from aspergillus fumigatus, MN/GDP-form
Analyse Crystal structure of core-mannan synthase a (CMSA/KTR4) from aspergillus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7BOP
- Type
- protein
- Length
- 2,211 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-1,2-mannosyltransferase (KTR4), putative
- UniProt
- B0Y2F5
- Ligands
- GDP, NA, MN
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 42% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Alpha-1,2-mannosyltransferase (KTR4), putative | protein | 365 | 41% helix, 15% strand | B0Y2F5 |
| B | Alpha-1,2-mannosyltransferase (KTR4), putative | protein | 365 | 43% helix, 15% strand | B0Y2F5 |
| C, E, F | Alpha-1,2-mannosyltransferase (KTR4), putative | protein | 372 | 41% helix, 16% strand | B0Y2F5 |
Ligands and binding sites
- GDP · Guanosine-5'-diphosphate · ligand · 6 copies · chains A, B, C, D, E, F
- NA · Sodium ion · metal · 7 copies · chains A, B, C, D
- MN · Manganese (II) ion · metal · 6 copies · chains A, B, C, D, E, F
- GOL · Glycerol · additive · 19 copies · chains A, E, B, F, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 445 | 0.83 | 0.91 | 67 | empty |
| 2 | 1002 | 0.82 | 0.83 | 111 | empty |
| 3 | 1069 | 0.81 | 0.82 | 120 | empty |
| 4 | 276 | 0.71 | 0.85 | 33 | empty |
| 5 | 472 | 0.70 | 0.80 | 55 | MN, GDP, GOL |
Interfaces
8 interfaces between chains.
- A–C · 849 Ų buried · 8 hydrogen bonds · protein-protein
- B–F · 849 Ų buried · 6 hydrogen bonds · protein-protein
- D–E · 849 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 478 Ų buried · 2 hydrogen bonds · protein-protein
- E–F · 452 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 disulfide (disulfide).
Compared structures
- 7BOP · Crystal Structure of Core-mannan synthase A (CmsA/Ktr4) from Aspergillus fumigatus… · 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 B0Y2F5
- Elsewhere: RCSB PDB 7BOP · PDBe 7BOP · UniProt B0Y2F5
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.