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Joint X-RAY/NEUTRON structure of trichoderma reesei xylanase II in complex with mes at pH 5.7
Analyse Joint X-RAY/NEUTRON structure of trichoderma reesei xylanase II in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4S2D
- Type
- protein
- Length
- 190 residues
- Chains
- 1
- Method
- x-ray diffraction; neutron diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endo-1,4-beta-xylanase 2
- EC
- 3.2.1.8
- UniProt
- P36217
- Ligands
- IOD
- Pockets
- 1 · best druggability 0.51
Structure
x-ray diffraction; neutron diffraction · 1 distinct chain · 5% helix, 62% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endo-1,4-beta-xylanase 2 (EC 3.2.1.8) | protein | 190 | 5% helix, 62% strand | P36217 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 198 | 0.51 | 0.77 | 30 | MES |
Modifications
Observed in the structure: 1 modified (cyclization).
Compared structures
- 4S2D · Joint X-ray/neutron structure of Trichoderma reesei xylanase II in complex with MES at pH… · the same entry in another collection · chain A against A, TM-score 1.00
- P36217 · AlphaFold monomer V2.0 prediction for endo-1,4-beta-xylanase 2 (P36217) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P36217
- Elsewhere: RCSB PDB 4S2D · PDBe 4S2D · UniProt P36217
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