MolNFT v1 · #120758 · protein

P99 beta-lactamase mutant - S64G

5HAI: “P99 beta-lactamase mutant - S64G”. X-ray diffraction, 1 ligand (PO4), 3 pockets (best druggability 0.64). MolNFT v1 #120758 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5HAI
Type: protein
Length: 359 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-lactamase
EC: 3.5.2.6
UniProt: P05364
Ligands: PO4
Pockets: 3 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Beta-lactamase (EC 3.5.2.6)	protein	359	38% helix, 22% strand	P05364

Ligands and binding sites

PO4 · Phosphate ion · ion · chains A

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

Pockets

3 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	293	0.64	0.81	47	PO4
2	53	0.31	0.76	16	empty
3	63	0.31	0.75	20	empty

Compared structures

5HAI · P99 beta-lactamase mutant - S64G · the same entry in another collection · chain A against A, TM-score 1.00
P05364 · AlphaFold monomer V2.0 prediction for beta-lactamase (P05364) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P05364
Elsewhere: RCSB PDB 5HAI · PDBe 5HAI · UniProt P05364

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