MolNFT v1 · #191148 · protein

Crystal structure of TEAD3 in complex with CPD2

8A0V · Transcriptional enhancer factor tef-5: “Crystal structure of TEAD3 in complex with CPD2”. X-ray diffraction, 3 ligands (KNE, MYR, PO4), 14 pockets (best druggability 0.83). MolNFT v1 #191148 on GenesisL1: 3D structure, binding sites…

PDB: 8A0V
Type: protein
Length: 837 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transcriptional enhancer factor tef-5
UniProt: P70210
Ligands: KNE, MYR, PO4
Pockets: 14 · best druggability 0.83

Structure

x-ray diffraction · 4 distinct chains · 17% helix, 51% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transcriptional enhancer factor tef-5	protein	208	17% helix, 52% strand	P70210
B	Transcriptional enhancer factor tef-5	protein	209	17% helix, 51% strand	P70210
C	Transcriptional enhancer factor tef-5	protein	209	17% helix, 51% strand	P70210
D	Transcriptional enhancer factor tef-5	protein	211	18% helix, 50% strand	P70210

Ligands and binding sites

KNE · [(2~{S})-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-2-yl]methanamine · ligand · 6 copies · chains A, B, C, D
MYR · Myristic acid · ligand · 4 copies · chains A, B, C, D
PO4 · Phosphate ion · ion · 6 copies · chains A, C, B, D
DMS · Dimethyl sulfoxide · additive · 3 copies · chains A, C, D, B

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

Pockets

14 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	206	0.83	0.96	36	MYR
2	171	0.83	0.97	32	MYR
3	190	0.83	0.96	34	MYR
4	157	0.81	0.96	31	MYR
5	1172	0.79	0.81	91	PO4

Interfaces

5 interfaces between chains.

A–C · 821 Å² buried · 17 hydrogen bonds · protein-protein
A–B · 662 Å² buried · 10 hydrogen bonds · protein-protein
C–D · 652 Å² buried · 9 hydrogen bonds · protein-protein
A–D · 255 Å² buried · 5 hydrogen bonds · protein-protein
B–C · 242 Å² buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 lipid (myristoylation).

Compared structures

8A0V · Crystal structure of TEAD3 in complex with CPD2 · the same entry in another collection · chain D against D, TM-score 1.00
P70210 · AlphaFold monomer V2.0 prediction for transcriptional enhancer factor tef-5 (P70210) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P70210
Elsewhere: RCSB PDB 8A0V · PDBe 8A0V · UniProt P70210

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