MolNFT v1 · #119972 · protein

Crystal structure of the class a beta-lactamase penl-TTR10 in complex with cba

5GLB: “Crystal structure of the class a beta-lactamase penl-TTR10 in complex with cba”. X-ray diffraction, 1 ligand (CB4), 2 pockets (best druggability 0.59). MolNFT v1 #119972 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5GLB
Type: protein
Length: 268 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-lactamase
EC: 3.5.2.6
UniProt: A0A2Z4SUB5
Ligands: CB4
Pockets: 2 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Beta-lactamase (EC 3.5.2.6)	protein	268	44% helix, 20% strand	A0A2Z4SUB5

Ligands and binding sites

CB4 · Pinacol[[2-amino-alpha-(1-carboxy-1-methylethoxyimino)-4-thiazoleacetyl]amino]methaneboronate · ligand · chains A

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

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	124	0.59	0.85	26	empty
2	66	0.27	0.73	18	CB4

Modifications

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

Compared structures

5GLB · Crystal structure of the class A beta-lactamase PenL-tTR10 in complex with CBA · 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 A0A2Z4SUB5
Elsewhere: RCSB PDB 5GLB · PDBe 5GLB · UniProt A0A2Z4SUB5

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