MolNFT v1 · #106553 · protein

Crystal structure of unbound oxa-48

4S2P · Beta-lactamase: “Crystal structure of unbound oxa-48”. X-ray diffraction, 1 pocket (best druggability 0.77). MolNFT v1 #106553 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4S2P
Type: protein
Length: 483 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-lactamase
EC: 3.5.2.6
UniProt: Q6XEC0
Pockets: 1 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Beta-lactamase (EC 3.5.2.6)	protein	242	41% helix, 21% strand	Q6XEC0
B	Beta-lactamase (EC 3.5.2.6)	protein	241	41% helix, 21% strand	Q6XEC0

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	832	0.77	0.80	119	empty

Interfaces

1 interface between chains.

A–B · 998 Å² buried · 22 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (carboxylation).

Compared structures

4S2P · Crystal structure of unbound OXA-48 · 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 Q6XEC0
Elsewhere: RCSB PDB 4S2P · PDBe 4S2P · UniProt Q6XEC0

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