MolNFT v1 · #185564 · protein

Crystal structure of ctx-M-14 in complex with bortezomib

7Q0Y · Beta-lactamase: “Crystal structure of ctx-M-14 in complex with bortezomib”. X-ray diffraction, 2 ligands (BO2, CL), 1 pocket (best druggability 0.33). MolNFT v1 #185564 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7Q0Y
Type: protein
Length: 263 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-lactamase
EC: 3.5.2.6
UniProt: A0A2S1JJX2
Ligands: BO2, CL
Pockets: 1 · best druggability 0.33

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Beta-lactamase (EC 3.5.2.6)	protein	263	43% helix, 19% strand	A0A2S1JJX2

Ligands and binding sites

BO2 · N-[(1R)-1-(dihydroxyboryl)-3-methylbutyl]-N-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide · ligand · chains A
CL · Chloride ion · ion · chains A
GOL · Glycerol · additive · chains A
ACT · Acetate ion · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	88	0.33	0.74	20	BO2, CL

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

7Q0Y · Crystal structure of CTX-M-14 in complex with Bortezomib · 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 A0A2S1JJX2
Elsewhere: RCSB PDB 7Q0Y · PDBe 7Q0Y · UniProt A0A2S1JJX2

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