MolNFT v1 · #181095 · protein

Crystal structure of kpc-2 T215P mutant

7LK8 · Beta-lactamase: “Crystal structure of kpc-2 T215P mutant”. X-ray diffraction, 1 ligand (NA), 3 pockets (best druggability 0.64). MolNFT v1 #181095 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7LK8
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: Q93LQ9
Ligands: NA
Pockets: 3 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Beta-lactamase (EC 3.5.2.6)	protein	260	45% helix, 17% strand	Q93LQ9

Ligands and binding sites

NA · Sodium ion · metal · 3 copies · chains A, B

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	596	0.64	0.75	64	empty
2	130	0.42	0.76	28	empty
3	124	0.39	0.75	24	empty

Interfaces

1 interface between chains.

A–B · 160 Å² buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

7LK8 · Crystal structure of KPC-2 T215P mutant · 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 Q93LQ9
Elsewhere: RCSB PDB 7LK8 · PDBe 7LK8 · UniProt Q93LQ9

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