MolNFT v1 · #177039 · protein

Crystal structure of cis assembled trop-2

7E5N · Tumor-associated calcium signal transducer 2: “Crystal structure of cis assembled trop-2”. X-ray diffraction, 11 pockets (best druggability 0.81). MolNFT v1 #177039 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7E5N
Type: protein
Length: 941 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tumor-associated calcium signal transducer 2
UniProt: P09758
Pockets: 11 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 18% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, D	Tumor-associated calcium signal transducer 2	protein	237	17% helix, 24% strand	P09758
C	Tumor-associated calcium signal transducer 2	protein	230	19% helix, 28% strand	P09758

Pockets

11 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	971	0.81	0.82	105	empty
2	1103	0.77	0.79	96	empty
3	631	0.69	0.77	64	empty
4	382	0.65	0.80	50	empty
5	593	0.64	0.75	53	empty

Interfaces

3 interfaces between chains.

A–B · 2505 Å² buried · 28 hydrogen bonds · protein-protein
C–D · 2315 Å² buried · 34 hydrogen bonds · protein-protein
A–C · 889 Å² buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 24 disulfide (disulfide).

Compared structures

7E5N · crystal structure of cis assembled TROP-2 · the same entry in another collection · chain A against A, TM-score 1.00
P09758 · AlphaFold monomer V2.0 prediction for tumor-associated calcium signal transducer 2… · a predicted model of the same protein · chain C against A, TM-score 0.93

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 P09758
Elsewhere: RCSB PDB 7E5N · PDBe 7E5N · UniProt P09758

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