MolNFT v1 · #177038 · protein

Crystal structure of trans assembled human trop-2

7E5M · Tumor-associated calcium signal transducer 2: “Crystal structure of trans assembled human trop-2”. X-ray diffraction, 1 ligand (NAG), 5 pockets (best druggability 0.73). MolNFT v1 #177038 on GenesisL1: 3D structure, binding sites…

PDB: 7E5M
Type: protein
Length: 472 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tumor-associated calcium signal transducer 2
UniProt: P09758
Ligands: NAG
Pockets: 5 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 18% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Tumor-associated calcium signal transducer 2	protein	236	18% helix, 24% strand	P09758

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, B

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	665	0.73	0.80	56	empty
2	599	0.73	0.80	45	empty
3	195	0.51	0.77	30	empty
4	178	0.48	0.76	29	empty
5	63	0.31	0.76	19	empty

Interfaces

1 interface between chains.

A–B · 994 Å² buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

7E5M · crystal structure of trans assembled human 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 A against A, TM-score 0.91

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 7E5M · PDBe 7E5M · UniProt P09758

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