Research workbench
Crystal structure of beta-lactamse inhibitory protein-I (blip-I) in complex with tem-1 beta-lactamase
Analyse Crystal structure of beta-lactamse inhibitory protein-I (blip-I) in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3GMW
- Type
- protein
- Length
- 832 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- B-lactamase; Beta-lactamase inhibitory protein blip-I
- UniProt
- A5PHA6, Q9KJ90
- Ligands
- PO4
- Pockets
- 8 · best druggability 0.72
Structure
x-ray diffraction · 3 distinct chains · 33% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | B-lactamase | protein | 261 | 44% helix, 17% strand | A5PHA6 |
| B | Beta-lactamase inhibitory protein blip-I | protein | 154 | 23% helix, 32% strand | Q9KJ90 |
| D | Beta-lactamase inhibitory protein blip-I | protein | 156 | 23% helix, 31% strand | Q9KJ90 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 242 | 0.72 | 0.87 | 42 | PO4 |
| 2 | 241 | 0.72 | 0.87 | 40 | PO4 |
| 3 | 228 | 0.57 | 0.79 | 34 | empty |
| 4 | 181 | 0.53 | 0.78 | 28 | empty |
| 5 | 89 | 0.39 | 0.77 | 19 | empty |
Interfaces
3 interfaces between chains.
- C–D · 1273 Ų buried · 26 hydrogen bonds · protein-protein
- A–B · 1255 Ų buried · 26 hydrogen bonds · protein-protein
- A–C · 751 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 3GMW · Crystal Structure of Beta-Lactamse Inhibitory Protein-I (BLIP-I) in Complex with TEM-1… · 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 A5PHA6
- Every structure of UniProt Q9KJ90
- Elsewhere: RCSB PDB 3GMW · PDBe 3GMW · UniProt A5PHA6 · UniProt Q9KJ90
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