MolNFT v1 · #86144 · protein
Hallmarks of processive and non-processive glycoside hydrolases revealed from computational and crystallographic studies of the serratia marcescens chitinases
4AXN · Chitinase C1: “Hallmarks of processive and non-processive glycoside hydrolases revealed from computational and…”. X-ray diffraction, 1 ligand (CA), 4 pockets (best druggability 0.72). MolNFT v1 #86144 on GenesisL1: 3D structure…
- PDB
- 4AXN
- Type
- protein
- Length
- 632 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chitinase C1
- EC
- 3.2.1.14
- UniProt
- Q700B8
- Ligands
- CA
- Pockets
- 4 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Chitinase C1 (EC 3.2.1.14) | protein | 316 | 33% helix, 20% strand | Q700B8 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A, B
- ACT · Acetate ion · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 924 | 0.72 | 0.77 | 66 | empty |
| 2 | 438 | 0.59 | 0.75 | 53 | empty |
| 3 | 224 | 0.51 | 0.76 | 31 | ACT |
| 4 | 172 | 0.48 | 0.76 | 27 | ACT |
Interfaces
1 interface between chains.
- A–B · 562 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4AXN · Hallmarks of processive and non-processive glycoside hydrolases revealed from… · 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 Q700B8
- Elsewhere: RCSB PDB 4AXN · PDBe 4AXN · UniProt Q700B8
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