MolNFT v1 · #109144 · protein
Active-site mutant of rhizomucor miehei beta-1,3-glucanosyltransferase in complex with laminaribiose
4WTR: “Active-site mutant of rhizomucor miehei beta-1,3-glucanosyltransferase in complex with laminaribiose”. X-ray diffraction, 1 ligand (BGC), 3 pockets (best druggability 0.61). MolNFT v1 #109144 on GenesisL1: 3D structure, binding…
- PDB
- 4WTR
- Type
- protein
- Length
- 266 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-1,3-glucanosyltransferase
- EC
- 2.4.1.-
- Ligands
- BGC
- Pockets
- 3 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-1,3-glucanosyltransferase (EC 2.4.1.-) | protein | 266 | 41% helix, 17% strand | — |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 375 | 0.61 | 0.77 | 36 | BGC |
| 2 | 52 | 0.36 | 0.80 | 19 | empty |
| 3 | 54 | 0.34 | 0.78 | 13 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4WTR · Active-site mutant of Rhizomucor miehei beta-1,3-glucanosyltransferase in complex 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
- Elsewhere: RCSB PDB 4WTR · PDBe 4WTR
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