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Crystal structure of P-nitrophenol 4-monooxygenase pnpa from pseudomonas putida dll-E4

Analyse Crystal structure of P-nitrophenol 4-monooxygenase pnpa from pseudomonas putida… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6AIN
Type: protein
Length: 783 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pnpa
UniProt: C6FI48
Ligands: FAD
Pockets: 5 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Pnpa	protein	388	38% helix, 29% strand	C6FI48
B	Pnpa	protein	395	38% helix, 30% strand	C6FI48

Ligands and binding sites

FAD · Flavin-adenine dinucleotide · ligand · chains B

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

Pockets

5 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	629	0.77	0.83	68	FAD
2	613	0.75	0.82	77	empty
3	175	0.65	0.84	29	empty
4	173	0.65	0.85	33	empty
5	270	0.52	0.75	40	empty

Interfaces

1 interface between chains.

A–B · 532 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

6AIN · Crystal structure of p-nitrophenol 4-monooxygenase PnpA from Pseudomonas putida DLL-E4 · the same entry in another collection · chain A against A, TM-score 1.00

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Every structure of UniProt C6FI48
Elsewhere: RCSB PDB 6AIN · PDBe 6AIN · UniProt C6FI48

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