MolNFT v1 · #9080 · protein

Unligated gamma lactamase from an aureobacterium species

1HKH: “Unligated gamma lactamase from an aureobacterium species”. X-ray diffraction, 1 ligand (SO4), 6 pockets (best druggability 0.58). MolNFT v1 #9080 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1HKH
Type: protein
Length: 558 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Gamma lactamase
UniProt: Q8GJP7
Ligands: SO4
Pockets: 6 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Gamma lactamase	protein	279	45% helix, 22% strand	Q8GJP7

Ligands and binding sites

SO4 · Sulfate ion · ion · 2 copies · chains A, B

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

Pockets

6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	394	0.58	0.75	38	empty
2	94	0.57	0.85	19	empty
3	89	0.53	0.83	19	empty
4	85	0.52	0.84	19	empty
5	83	0.51	0.84	18	empty

Interfaces

1 interface between chains.

A–B · 450 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

1HKH · unligated gamma lactamase from an Aureobacterium species · 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 Q8GJP7
Elsewhere: RCSB PDB 1HKH · PDBe 1HKH · UniProt Q8GJP7

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