MolNFT v1 · #93374 · protein
Crystal structure of scfv-2D10 in complex with methyl alpha-D- mannopyranoside
4H0I · 2D10 scfv: “Crystal structure of scfv-2D10 in complex with methyl alpha-D- mannopyranoside”. X-ray diffraction, 2 ligands (MMA, MG), 3 pockets (best druggability 0.41). MolNFT v1 #93374 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4H0I
- Type
- protein
- Length
- 238 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2D10 scfv
- Ligands
- MMA, MG
- Pockets
- 3 · best druggability 0.41
Structure
x-ray diffraction · 1 distinct chain · 5% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 2D10 scfv | protein | 238 | 5% helix, 50% strand | — |
Ligands and binding sites
- MMA · methyl alpha-D-mannopyranoside · sugar · chains A
- MG · Magnesium ion · metal · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 115 | 0.41 | 0.76 | 26 | empty |
| 2 | 71 | 0.30 | 0.74 | 21 | empty |
| 3 | 75 | 0.30 | 0.73 | 17 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4H0I · Crystal Structure of Scfv-2D10 in Complex with Methyl Alpha-D-Mannopyranoside · 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 4H0I · PDBe 4H0I
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