MolNFT v1 · #187420 · protein

Crystal structure of SHOC2

7SD1 · Leucine-rich repeat protein shoc-2: “Crystal structure of SHOC2”. X-ray diffraction, 15 pockets (best druggability 0.84). MolNFT v1 #187420 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7SD1
Type: protein
Length: 1,997 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Leucine-rich repeat protein shoc-2
UniProt: Q9UQ13
Pockets: 15 · best druggability 0.84

Structure

x-ray diffraction · 3 distinct chains · 23% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Leucine-rich repeat protein shoc-2	protein	497	23% helix, 12% strand	Q9UQ13
B	Leucine-rich repeat protein shoc-2	protein	498	23% helix, 12% strand	Q9UQ13
C, D	Leucine-rich repeat protein shoc-2	protein	501	24% helix, 12% strand	Q9UQ13

Pockets

15 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	882	0.84	0.86	99	empty
2	102	0.78	0.98	23	empty
3	94	0.77	0.98	22	empty
4	252	0.70	0.86	47	empty
5	320	0.61	0.78	33	empty

Interfaces

6 interfaces between chains.

A–C · 1471 Å² buried · 23 hydrogen bonds · protein-protein
B–D · 1415 Å² buried · 27 hydrogen bonds · protein-protein
C–D · 535 Å² buried · 9 hydrogen bonds · protein-protein
A–B · 520 Å² buried · 3 hydrogen bonds · protein-protein
A–D · 129 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

7SD1 · Crystal structure of SHOC2 · the same entry in another collection · chain A against A, TM-score 1.00
Q9UQ13 · AlphaFold monomer V2.0 prediction for leucine-rich repeat protein shoc-2 (Q9UQ13) · a predicted model of the same protein · 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
Every structure of UniProt Q9UQ13
Elsewhere: RCSB PDB 7SD1 · PDBe 7SD1 · UniProt Q9UQ13

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