MolNFT v1 · #185566 · protein

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

7Q11 · Beta-lactamase: “Crystal structure of ctx-M-14 in complex with ixazomib”. X-ray diffraction, 3 ligands (6V8, SO4, CL), 1 pocket (best druggability 0.34). MolNFT v1 #185566 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 7Q11
Type: protein
Length: 262 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-lactamase
EC: 3.5.2.6
UniProt: D2D9A0
Ligands: 6V8, SO4, CL
Pockets: 1 · best druggability 0.34

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	262	43% helix, 19% strand	D2D9A0

Ligands and binding sites

6V8 · [(1~{R})-1-[2-[[2,5-bis(chloranyl) phenyl]carbonylamino]ethanoylamino]-3-methyl-butyl]boronic acid · ligand · chains A
SO4 · Sulfate ion · ion · 6 copies · chains A
CL · Chloride ion · ion · chains A
DMS · Dimethyl sulfoxide · additive · 4 copies · 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	91	0.34	0.74	22	6V8, CL

Modifications

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

Compared structures

7Q11 · Crystal structure of CTX-M-14 in complex with Ixazomib · 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 D2D9A0
Elsewhere: RCSB PDB 7Q11 · PDBe 7Q11 · UniProt D2D9A0

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