MolNFT v1 · #32377 · protein
Crystal structure of pseudomonas aeruginosa lectin (pa-iil) complexed with methyl-B-D-arabinopyranoside
2BOJ · Pseudomonas aeruginosa lectin II: “Crystal structure of pseudomonas aeruginosa lectin (pa-iil) complexed with methyl-B-D-arabinopyranoside”. X-ray diffraction, 3 ligands (ARW, CA, SO4), 2 pockets (best druggability 0.31). MolNFT v1…
- PDB
- 2BOJ
- Type
- protein
- Length
- 456 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pseudomonas aeruginosa lectin II
- UniProt
- Q9HYN5
- Ligands
- ARW, CA, SO4
- Pockets
- 2 · best druggability 0.31
Structure
x-ray diffraction · 1 distinct chain · 0% helix, 62% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Pseudomonas aeruginosa lectin II | protein | 114 | 0% helix, 62% strand | Q9HYN5 |
Ligands and binding sites
- ARW · methyl beta-D-arabinopyranoside · ligand · 4 copies · chains A, C, B, D
- CA · Calcium ion · metal · 8 copies · chains A, C, B, D
- SO4 · Sulfate ion · ion · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 96 | 0.31 | 0.72 | 18 | empty |
| 2 | 65 | 0.28 | 0.73 | 16 | empty |
Interfaces
6 interfaces between chains.
- B–D · 1368 Ų buried · 21 hydrogen bonds · protein-protein
- A–C · 1365 Ų buried · 24 hydrogen bonds · protein-protein
- B–C · 534 Ų buried · 12 hydrogen bonds · protein-protein
- A–D · 530 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 230 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 2BOJ · crystal Structure of pseudomonas aeruginosa lectin (PA-IIL) complexed with… · 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 Q9HYN5
- Elsewhere: RCSB PDB 2BOJ · PDBe 2BOJ · UniProt Q9HYN5
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