MolNFT v1 · #30631 · protein
Crystal structure of mitomycin C-binding protein complexed with COPPER(II)-bleomycin A2
2A4W · Mitomycin-binding protein: “Crystal structure of mitomycin C-binding protein complexed with COPPER(II)-bleomycin A2”. X-ray diffraction, 2 ligands (BLM, CU), 3 pockets (best druggability 0.59). MolNFT v1 #30631 on GenesisL1: 3D…
- PDB
- 2A4W
- Type
- protein
- Length
- 258 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitomycin-binding protein
- Ligands
- BLM, CU
- Pockets
- 3 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitomycin-binding protein | protein | 128 | 27% helix, 38% strand | — |
| B | Mitomycin-binding protein | protein | 130 | 26% helix, 38% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 148 | 0.59 | 0.83 | 27 | empty |
| 2 | 141 | 0.59 | 0.84 | 29 | empty |
| 3 | 71 | 0.47 | 0.83 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 2171 Ų buried · 36 hydrogen bonds · protein-protein
Compared structures
- 2A4W · Crystal Structure Of Mitomycin C-Binding Protein Complexed with Copper(II)-Bleomycin A2 · 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
- Elsewhere: RCSB PDB 2A4W · PDBe 2A4W
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