MolNFT v1 · #38248 · protein

Crystal structure of DCT/ICF10 complex

2GRL · Prgx: “Crystal structure of DCT/ICF10 complex”. X-ray diffraction, 14 pockets (best druggability 0.84). MolNFT v1 #38248 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2GRL
Type: protein
Length: 1,153 residues
Chains: 5
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Prgx; Peptide
Pockets: 14 · best druggability 0.84

Structure

x-ray diffraction · 3 distinct chains · 73% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Prgx	protein	287	74% helix, 0% strand	—
B, D	Prgx	protein	286	74% helix, 0% strand	—
E	Peptide	protein	7	0% helix, 0% strand	—

Pockets

14 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	792	0.84	0.87	75	empty
2	1047	0.83	0.84	85	empty
3	223	0.61	0.81	30	empty
4	144	0.53	0.80	19	empty
5	53	0.42	0.83	14	empty

Interfaces

5 interfaces between chains.

C–D · 2990 Å² buried · 33 hydrogen bonds · protein-protein
A–B · 2988 Å² buried · 36 hydrogen bonds · protein-protein
B–E · 674 Å² buried · 20 hydrogen bonds · protein-protein
A–C · 138 Å² buried · 3 hydrogen bonds · protein-protein
A–E · 19 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

2GRL · Crystal structure of dCT/iCF10 complex · the same entry in another collection · chain A against A, 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
Elsewhere: RCSB PDB 2GRL · PDBe 2GRL

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