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Crystal structure of mitomycin C-binding protein complexed with metal-free bleomycin A2

Analyse Crystal structure of mitomycin C-binding protein complexed with metal-free… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2A4X
Type: protein
Length: 259 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mitomycin-binding protein
Ligands: BLM
Pockets: 3 · best druggability 0.69

Structure

x-ray diffraction · 2 distinct chains · 27% helix, 38% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mitomycin-binding protein	protein	131	26% helix, 37% strand	—
B	Mitomycin-binding protein	protein	128	28% helix, 39% strand	—

Ligands and binding sites

BLM · Bleomycin A2 · ligand · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	235	0.69	0.85	28	BLM
2	119	0.59	0.85	25	empty
3	56	0.32	0.76	17	empty

Interfaces

1 interface between chains.

A–B · 2166 Å² buried · 32 hydrogen bonds · protein-protein

Compared structures

2A4X · Crystal Structure Of Mitomycin C-Binding Protein Complexed with Metal-Free 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 2A4X · PDBe 2A4X

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