MolNFT v1 · #35991 · protein
Crystal structure of the outer membrane enzyme pagl
2ERV · Hypothetical protein PAER03002360: “Crystal structure of the outer membrane enzyme pagl”. X-ray diffraction, 2 ligands (CXE, CA), 3 pockets (best druggability 0.66). MolNFT v1 #35991 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2ERV
- Type
- protein
- Length
- 296 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein PAER03002360
- UniProt
- Q9HVD1
- Ligands
- CXE, CA
- Pockets
- 3 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 0% helix, 69% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical protein PAER03002360 | protein | 150 | 0% helix, 68% strand | Q9HVD1 |
| B | Hypothetical protein PAER03002360 | protein | 146 | 0% helix, 70% strand | Q9HVD1 |
Ligands and binding sites
- CXE · Pentaethylene glycol monodecyl ether · ligand · 12 copies · chains A, B
- CA · Calcium ion · metal · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 66 | 0.66 | 0.93 | 17 | empty |
| 2 | 72 | 0.64 | 0.92 | 18 | empty |
| 3 | 289 | 0.59 | 0.78 | 40 | CA, CXE |
Interfaces
1 interface between chains.
- A–B · 381 Ų buried · 1 hydrogen bond · protein-protein
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 Q9HVD1
- Elsewhere: RCSB PDB 2ERV · PDBe 2ERV · UniProt Q9HVD1
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