MolNFT v1 · #86306 · protein

Latex oxygenase roxa

4B2N · 70 kda protein: “Latex oxygenase roxa”. X-ray diffraction, 2 ligands (HEC, OXY), 20 pockets (best druggability 0.86). MolNFT v1 #86306 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4B2N
Type: protein
Length: 1,296 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 70 kda protein
UniProt: Q7X0P3
Ligands: HEC, OXY
Pockets: 20 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	70 kda protein	protein	648	34% helix, 8% strand	Q7X0P3

Ligands and binding sites

HEC · Heme C · ligand · 4 copies · chains A, B
OXY · Oxygen molecule · ion · 2 copies · chains A, B
EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 2 copies · chains A, B

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

Pockets

20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	262	0.86	0.97	47	HEC
2	276	0.86	0.96	50	HEC
3	317	0.85	0.95	48	HEC, OXY
4	327	0.85	0.95	51	HEC, OXY
5	1170	0.84	0.85	96	empty

Interfaces

1 interface between chains.

A–B · 599 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 cofactor, 4 disulfide (heme c attachment, disulfide).

Compared structures

4B2N · Latex Oxygenase RoxA · 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 Q7X0P3
Elsewhere: RCSB PDB 4B2N · PDBe 4B2N · UniProt Q7X0P3

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