MolNFT v1 · #53287 · protein

Tandem gnat protein from the clavulanic acid biosynthesis pathway (with accoa)

2WPX · ORF14: “Tandem gnat protein from the clavulanic acid biosynthesis pathway (with accoa)”. X-ray diffraction, 1 ligand (ACO), 9 pockets (best druggability 0.78). MolNFT v1 #53287 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 2WPX
Type: protein
Length: 652 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ORF14
EC: 2.3.1.-
UniProt: Q8KRB5
Ligands: ACO
Pockets: 9 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 32% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	ORF14 (EC 2.3.1.-)	protein	326	29% helix, 32% strand	Q8KRB5

Ligands and binding sites

ACO · Acetyl coenzyme *A · ligand · 2 copies · chains A, B
GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	887	0.78	0.81	74	ACO, GOL
2	824	0.78	0.81	67	ACO, GOL
3	142	0.58	0.83	22	empty
4	158	0.57	0.82	31	empty
5	195	0.43	0.73	29	empty

Interfaces

1 interface between chains.

A–B · 684 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

2WPX · Tandem GNAT protein from the clavulanic acid biosynthesis pathway (with AcCoA) · 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 Q8KRB5
Elsewhere: RCSB PDB 2WPX · PDBe 2WPX · UniProt Q8KRB5

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