MolNFT v1 · #105445 · protein

Crystal structure of computational designed leucine rich repeats DLRR_A in space group P21

4R58 · Leucine rich repeat protein: “Crystal structure of computational designed leucine rich repeats DLRR_A in space group P21”. X-ray diffraction, 5 pockets (best druggability 0.79). MolNFT v1 #105445 on GenesisL1: 3D structure, binding…

PDB: 4R58
Type: protein
Length: 880 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Leucine rich repeat protein
Pockets: 5 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 20% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Leucine rich repeat protein	protein	220	20% helix, 13% strand	—

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1011	0.79	0.81	99	empty
2	993	0.77	0.80	77	empty
3	104	0.41	0.77	20	empty
4	75	0.36	0.76	14	empty
5	55	0.31	0.77	14	empty

Interfaces

5 interfaces between chains.

A–B · 631 Å² buried · 9 hydrogen bonds · protein-protein
C–D · 515 Å² buried · 8 hydrogen bonds · protein-protein
A–D · 513 Å² buried · 8 hydrogen bonds · protein-protein
A–C · 443 Å² buried · 10 hydrogen bonds · protein-protein
B–C · 423 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

4R58 · Crystal structure of computational designed leucine rich repeats DLRR_A in space group P21 · 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 4R58 · PDBe 4R58

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