MolNFT v1 · #158119 · protein

Structure of phqb reductase domain from penicillium fellutanum

6NKI · Nrps: “Structure of phqb reductase domain from penicillium fellutanum”. X-ray diffraction, 1 ligand (NDP), 3 pockets (best druggability 0.76). MolNFT v1 #158119 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6NKI
Type: protein
Length: 356 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nrps
UniProt: L0E2U2
Ligands: NDP
Pockets: 3 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nrps	protein	356	47% helix, 15% strand	L0E2U2

Ligands and binding sites

NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 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	1049	0.76	0.78	73	NDP
2	96	0.43	0.78	16	empty
3	53	0.40	0.81	14	empty

Compared structures

6NKI · Structure of PhqB Reductase Domain from Penicillium fellutanum · the same entry in another collection · chain A against A, TM-score 1.00
L0E2U2 · AlphaFold monomer V2.0 prediction for nonribisomal peptide synthase phqb (L0E2U2) · a predicted model of the same protein · chain A against A, TM-score 0.95

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 L0E2U2
Elsewhere: RCSB PDB 6NKI · PDBe 6NKI · UniProt L0E2U2

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