MolNFT v1 · #117247 · protein

Crystal structure of beta-lactamase precursor blaa from yersinia enterocolitica

5E2E: “Crystal structure of beta-lactamase precursor blaa from yersinia enterocolitica”. X-ray diffraction, 4 pockets (best druggability 0.78). MolNFT v1 #117247 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5E2E
Type: protein
Length: 520 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-lactamase
EC: 3.5.2.6
UniProt: A1JML9
Pockets: 4 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Beta-lactamase (EC 3.5.2.6)	protein	260	46% helix, 19% strand	A1JML9

Pockets

4 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	759	0.78	0.82	75	empty
2	163	0.42	0.73	24	empty
3	84	0.33	0.74	20	empty
4	53	0.25	0.74	15	empty

Interfaces

1 interface between chains.

A–B · 652 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified, 1 disulfide (engineered, disulfide).

Compared structures

5E2E · Crystal Structure of Beta-lactamase Precursor BlaA from Yersinia enterocolitica · 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 A1JML9
Elsewhere: RCSB PDB 5E2E · PDBe 5E2E · UniProt A1JML9

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