MolNFT v1 · #3244 · protein
Catalytic core of xylanase a
1CLX: “Catalytic core of xylanase a”. X-ray diffraction, 1 ligand (CA), 13 pockets (best druggability 0.81). MolNFT v1 #3244 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1CLX
- Type
- protein
- Length
- 1,380 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Xylanase a
- EC
- 3.2.1.8
- UniProt
- P14768
- Ligands
- CA
- Pockets
- 13 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Xylanase a (EC 3.2.1.8) | protein | 345 | 38% helix, 20% strand | P14768 |
Ligands and binding sites
- CA · Calcium ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1110 | 0.81 | 0.82 | 108 | empty |
| 2 | 625 | 0.79 | 0.85 | 71 | empty |
| 3 | 248 | 0.62 | 0.81 | 37 | empty |
| 4 | 169 | 0.61 | 0.84 | 28 | empty |
| 5 | 146 | 0.50 | 0.79 | 28 | empty |
Interfaces
5 interfaces between chains.
- C–D · 1087 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 1068 Ų buried · 18 hydrogen bonds · protein-protein
- A–D · 315 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 242 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 143 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
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 P14768
- Elsewhere: RCSB PDB 1CLX · PDBe 1CLX · UniProt P14768
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