MolNFT v1 · #143486 · protein

Structure of TNE2 in complex with TNI2

6B12: “Structure of TNE2 in complex with TNI2”. X-ray diffraction, 7 pockets (best druggability 0.67). MolNFT v1 #143486 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6B12
Type: protein
Length: 544 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: TNE2; TNI2
UniProt: Q4K3B6, Q4K3B5
Pockets: 7 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 50% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D	TNE2	protein	119	12% helix, 39% strand	Q4K3B6
B, C	TNI2	protein	153	4% helix, 58% strand	Q4K3B5

Pockets

7 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	168	0.67	0.87	39	empty
2	204	0.66	0.85	38	empty
3	207	0.65	0.84	38	empty
4	180	0.63	0.84	37	empty
5	164	0.56	0.81	24	empty

Interfaces

3 interfaces between chains.

A–C · 1203 Å² buried · 12 hydrogen bonds · protein-protein
B–D · 1198 Å² buried · 11 hydrogen bonds · protein-protein
B–C · 636 Å² buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 14 modified (engineered).

Compared structures

6B12 · Structure of Tne2 in complex with Tni2 · the same entry in another collection · chain B against B, 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 Q4K3B6
Every structure of UniProt Q4K3B5
Elsewhere: RCSB PDB 6B12 · PDBe 6B12 · UniProt Q4K3B6 · UniProt Q4K3B5

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