MolNFT v1 · #108969 · protein

Structure of methanosarcina barkeri ROCO2 roccordc bound to GDP

4WNR · Leucine-rich-repeat protein: “Structure of methanosarcina barkeri ROCO2 roccordc bound to GDP”. X-ray diffraction, 3 ligands (GDP, MG, SO4), 5 pockets (best druggability 0.55). MolNFT v1 #108969 on GenesisL1: 3D structure, binding…

PDB: 4WNR
Type: protein
Length: 323 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Leucine-rich-repeat protein
UniProt: Q46A62
Ligands: GDP, MG, SO4
Pockets: 5 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Leucine-rich-repeat protein	protein	323	39% helix, 20% strand	Q46A62

Ligands and binding sites

GDP · Guanosine-5'-diphosphate · ligand · chains A
MG · Magnesium ion · metal · chains A
SO4 · Sulfate ion · ion · 2 copies · chains A
GOL · Glycerol · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	152	0.55	0.81	27	GDP, MG
2	128	0.44	0.77	19	empty
3	122	0.43	0.77	19	empty
4	51	0.34	0.78	14	empty
5	55	0.31	0.76	11	empty

Compared structures

4WNR · Structure of methanosarcina barkeri Roco2 RocCORdC bound to GDP · 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
Every structure of UniProt Q46A62
Elsewhere: RCSB PDB 4WNR · PDBe 4WNR · UniProt Q46A62

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