MolNFT v1 · #105492 · protein

Crystal structure of computaional designed lucine rich repeats DLRR_H in space group P212121

4R6J: “Crystal structure of computaional designed lucine rich repeats DLRR_H in space group P212121”. X-ray diffraction, 1 ligand (SO4), 9 pockets (best druggability 0.76). MolNFT v1 #105492 on GenesisL1: 3D structure, binding sites and…

PDB: 4R6J
Type: protein
Length: 1,011 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Lucine rich repeats DLRR_H
Ligands: SO4
Pockets: 9 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 15% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	Lucine rich repeats DLRR_H	protein	253	15% helix, 12% strand	—
D	Lucine rich repeats DLRR_H	protein	252	16% helix, 13% strand	—

Ligands and binding sites

SO4 · Sulfate ion · ion · 2 copies · chains A, B

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

Pockets

9 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	726	0.76	0.81	78	empty
2	542	0.62	0.75	59	empty
3	127	0.52	0.81	27	empty
4	118	0.47	0.79	20	empty
5	169	0.45	0.75	27	empty

Interfaces

6 interfaces between chains.

A–B · 766 Å² buried · 12 hydrogen bonds · protein-protein
C–D · 691 Å² buried · 12 hydrogen bonds · protein-protein
B–D · 666 Å² buried · 15 hydrogen bonds · protein-protein
A–C · 525 Å² buried · 6 hydrogen bonds · protein-protein
B–C · 397 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

4R6J · Crystal structure of computaional designed Lucine rich repeats DLRR_H in space group… · 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 4R6J · PDBe 4R6J

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