MolNFT v1 · #153268 · protein

Structure of MOEN5-SSO7D fusion protein in complex with ligand 2

6J8V · MOEN5,DNA-binding protein 7D: “Structure of MOEN5-SSO7D fusion protein in complex with ligand 2”. X-ray diffraction, 1 ligand (FAR), 7 pockets (best druggability 0.83). MolNFT v1 #153268 on GenesisL1: 3D structure, binding sites and…

PDB: 6J8V
Type: protein
Length: 1,142 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: MOEN5,DNA-binding protein 7D
UniProt: A0A010, P39476
Ligands: FAR
Pockets: 7 · best druggability 0.83

Structure

x-ray diffraction · 4 distinct chains · 73% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	MOEN5,DNA-binding protein 7D	protein	258	80% helix, 0% strand	A0A010, P39476
B	MOEN5,DNA-binding protein 7D	protein	332	66% helix, 11% strand	A0A010, P39476
C	MOEN5,DNA-binding protein 7D	protein	261	80% helix, 0% strand	A0A010, P39476
D	MOEN5,DNA-binding protein 7D	protein	291	70% helix, 4% strand	A0A010, P39476

Ligands and binding sites

FAR · Farnesyl · ligand · chains C, D

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

Pockets

7 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	831	0.83	0.86	81	empty
2	1175	0.78	0.80	78	FAR
3	609	0.76	0.82	60	empty
4	561	0.74	0.81	49	empty
5	193	0.50	0.77	31	empty

Interfaces

4 interfaces between chains.

C–D · 1859 Å² buried · 23 hydrogen bonds · protein-protein
A–B · 1846 Å² buried · 23 hydrogen bonds · protein-protein
B–D · 827 Å² buried · 6 hydrogen bonds · protein-protein
B–C · 372 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

6J8V · Structure of MOEN5-SSO7D fusion protein in complex with ligand 2 · the same entry in another collection · chain D against D, TM-score 1.00
P39476 · AlphaFold monomer V2.0 prediction for DNA-binding protein 7D (P39476) · a predicted model of the same protein · chain B against A, TM-score 0.18

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 A0A010
Every structure of UniProt P39476
Elsewhere: RCSB PDB 6J8V · PDBe 6J8V · UniProt A0A010 · UniProt P39476

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