MolNFT v1 · #27316 · protein
Crystal structure of the complex between pectin methylesterase and its inhibitor protein
1XG2 · Pectinesterase 1: “Crystal structure of the complex between pectin methylesterase and its inhibitor protein”. X-ray diffraction, 3 pockets (best druggability 0.61). MolNFT v1 #27316 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1XG2
- Type
- protein
- Length
- 468 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pectinesterase 1; Pectinesterase inhibitor
- EC
- 3.1.1.11
- UniProt
- P14280, P83326
- Pockets
- 3 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pectinesterase 1 (EC 3.1.1.11) | protein | 317 | 11% helix, 34% strand | P14280 |
| B | Pectinesterase inhibitor | protein | 151 | 81% helix, 0% strand | P83326 |
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 100 | 0.61 | 0.88 | 27 | empty |
| 2 | 133 | 0.53 | 0.81 | 22 | empty |
| 3 | 72 | 0.34 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1159 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 1XG2 · Crystal structure of the complex between pectin methylesterase and its inhibitor protein · the same entry in another collection · chain A against A, TM-score 1.00
- P14280 · AlphaFold monomer V2.0 prediction for pectinesterase 1 (P14280) · a predicted model of the same protein · chain A against A, TM-score 0.99
- P83326 · AlphaFold monomer V2.0 prediction for pectinesterase inhibitor (P83326) · a predicted model of the same protein · chain B 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 P14280
- Every structure of UniProt P83326
- Elsewhere: RCSB PDB 1XG2 · PDBe 1XG2 · UniProt P14280 · UniProt P83326
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