MolNFT v1 · #143577 · protein
Crystal structure of cbmbc (family CBM26) from eubacterium rectale AMY13K in complex with maltoheptaose
6B3P: “Crystal structure of cbmbc (family CBM26) from eubacterium rectale AMY13K in complex with maltoheptaose”. X-ray diffraction, 1 ligand (GLC), 5 pockets (best druggability 0.73). MolNFT v1 #143577 on GenesisL1: 3D structure, binding…
- PDB
- 6B3P
- Type
- protein
- Length
- 418 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- AMY13K
- UniProt
- D4JJZ5
- Ligands
- GLC
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 0% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | AMY13K | protein | 209 | 0% helix, 42% strand | D4JJZ5 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 14 copies · chains A, B
- FMT · Formic acid · additive · 19 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 16 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 712 | 0.73 | 0.79 | 51 | FMT |
| 2 | 218 | 0.51 | 0.76 | 36 | FMT |
| 3 | 87 | 0.43 | 0.80 | 21 | empty |
| 4 | 125 | 0.41 | 0.75 | 19 | EDO, FMT |
| 5 | 59 | 0.29 | 0.75 | 16 | EDO |
Interfaces
1 interface between chains.
- A–B · 488 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6B3P · Crystal structure of CBMbc (family CBM26) from Eubacterium rectale Amy13K 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
- Every structure of UniProt D4JJZ5
- Elsewhere: RCSB PDB 6B3P · PDBe 6B3P · UniProt D4JJZ5
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