MolNFT v1 · #129894 · protein

Structure of neqn from nanoarchaeum equitans

5OXW · NEQ068: “Structure of neqn from nanoarchaeum equitans”. X-ray diffraction, 4 pockets (best druggability 0.51). MolNFT v1 #129894 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5OXW
Type: protein
Length: 346 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: NEQ068; Ala-ser-gly-ser-phe-lys-val-ile-tyr-gly-asp
UniProt: Q74N74
Pockets: 4 · best druggability 0.51

Structure

x-ray diffraction · 3 distinct chains · 14% helix, 54% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	NEQ068	protein	71	11% helix, 55% strand	Q74N74
C, D	NEQ068	protein	80	19% helix, 54% strand	Q74N74
E, F, G, H	Ala-ser-gly-ser-phe-lys-val-ile-tyr-gly-asp	protein	11	0% helix, 55% strand	—

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	251	0.51	0.75	41	empty
2	124	0.51	0.80	24	empty
3	72	0.47	0.83	12	empty
4	50	0.28	0.75	13	empty

Interfaces

14 interfaces between chains.

A–H · 632 Å² buried · 18 hydrogen bonds · protein-protein
B–C · 625 Å² buried · 6 hydrogen bonds · protein-protein
A–D · 625 Å² buried · 6 hydrogen bonds · protein-protein
D–G · 589 Å² buried · 16 hydrogen bonds · protein-protein
C–F · 583 Å² buried · 17 hydrogen bonds · protein-protein

Compared structures

5OXW · Structure of NeqN from Nanoarchaeum equitans · 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 Q74N74
Elsewhere: RCSB PDB 5OXW · PDBe 5OXW · UniProt Q74N74

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