MolNFT v1 · #102548 · protein

Crystal structure of stabilized tem-1 beta-lactamase variant V.13 carrying R164S mutation

4OP5 · Extended spectrum beta-lactamase tem-63: “Crystal structure of stabilized tem-1 beta-lactamase variant V.13 carrying R164S mutation”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.34). MolNFT v1 #102548 on…

PDB: 4OP5
Type: protein
Length: 263 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Extended spectrum beta-lactamase tem-63
UniProt: Q9AGJ5
Ligands: CA
Pockets: 1 · best druggability 0.34

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Extended spectrum beta-lactamase tem-63	protein	263	44% helix, 18% strand	Q9AGJ5

Ligands and binding sites

CA · Calcium ion · metal · chains A
PG4 · Tetraethylene glycol · additive · chains A
MES · 2-(N-morpholino)-ethanesulfonic acid · 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	81	0.34	0.76	18	MES

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

4OP5 · Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S mutation · 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 Q9AGJ5
Elsewhere: RCSB PDB 4OP5 · PDBe 4OP5 · UniProt Q9AGJ5

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