MolNFT v1 · #144230 · protein
Crystal structure of the intrinsic colistin resistance enzyme ICR(MC) from moraxella catarrhalis, catalytic domain, THR315ALA mutant di- zinc and peg complex
6BNC · Phosphoethanolamine transferase: “Crystal structure of the intrinsic colistin resistance enzyme ICR(MC) from moraxella catarrhalis, catalytic…”. X-ray diffraction, 2 ligands (ZN, CL), 9 pockets (best druggability 0.73). MolNFT v1…
- PDB
- 6BNC
- Type
- protein
- Length
- 670 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoethanolamine transferase
- UniProt
- A0A1E9VP98
- Ligands
- ZN, CL
- Pockets
- 9 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Phosphoethanolamine transferase | protein | 335 | 32% helix, 17% strand | A0A1E9VP98 |
Ligands and binding sites
- ZN · Zinc ion · metal · 4 copies · chains A, B
- CL · Chloride ion · ion · chains B
- 15P · Polyethylene glycol (N=34) · additive · 9 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 84 | 0.73 | 0.96 | 17 | empty |
| 2 | 473 | 0.70 | 0.80 | 38 | 15P |
| 3 | 251 | 0.69 | 0.85 | 36 | empty |
| 4 | 445 | 0.69 | 0.80 | 36 | 15P |
| 5 | 65 | 0.57 | 0.89 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1310 Ų buried · 24 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 6BNC · Crystal structure of the intrinsic colistin resistance enzyme ICR(Mc) from Moraxella… · 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 A0A1E9VP98
- Elsewhere: RCSB PDB 6BNC · PDBe 6BNC · UniProt A0A1E9VP98
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