MolNFT v1 · #68735 · protein
Crystal structure of the cellulosomal CBM4 from clostridium thermocellum cellulase cbha
3K4Z · Glycoside hydrolase family 9: “Crystal structure of the cellulosomal CBM4 from clostridium thermocellum cellulase cbha”. X-ray diffraction, 5 ligands (OXL, XGP, BGC), 2 pockets (best druggability 0.57). MolNFT v1 #68735 on…
- PDB
- 3K4Z
- Type
- protein
- Length
- 275 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycoside hydrolase family 9
- UniProt
- B4BCE7
- Ligands
- OXL, XGP, BGC, MG, NI
- Pockets
- 2 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 3% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glycoside hydrolase family 9 | protein | 275 | 3% helix, 47% strand | B4BCE7 |
Ligands and binding sites
- OXL · Oxalate ion · ligand · chains A
- XGP · 1-O-phosphono-beta-D-glucopyranose · ligand · chains A
- BGC · beta-D-glucopyranose · sugar · 2 copies · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- NI · Nickel (II) ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 169 | 0.57 | 0.82 | 37 | MG |
| 2 | 93 | 0.35 | 0.74 | 17 | empty |
Compared structures
- 3K4Z · Crystal Structure of the Cellulosomal CBM4 from Clostridium thermocellum Cellulase CbhA · 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 B4BCE7
- Elsewhere: RCSB PDB 3K4Z · PDBe 3K4Z · UniProt B4BCE7
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