MolNFT v1 · #157101 · protein

Dimeric darpin C_ANGLE_R5 complex with epor

6MOI · Dimeric darping CCR5 (C_ANGLE_R5): “Dimeric darpin C_ANGLE_R5 complex with epor”. X-ray diffraction, 2 ligands (MG, SO4), 3 pockets (best druggability 0.68). MolNFT v1 #157101 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 6MOI
Type: protein
Length: 432 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Dimeric darping CCR5 (C_ANGLE_R5); Erythropoietin receptor
UniProt: P19235
Ligands: MG, SO4
Pockets: 3 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 32% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Dimeric darping CCR5 (C_ANGLE_R5)	protein	222	53% helix, 0% strand	—
B	Erythropoietin receptor	protein	210	10% helix, 48% strand	P19235

Ligands and binding sites

MG · Magnesium ion · metal · 2 copies · chains A, B
SO4 · Sulfate ion · ion · 2 copies · chains A, B
EDO · 1,2-ethanediol · additive · 10 copies · chains A, B
PEG · Di(hydroxyethyl)ether · additive · chains A, B
PGE · Triethylene glycol · additive · chains A
PG4 · Tetraethylene glycol · additive · chains A

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

Pockets

3 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	477	0.68	0.79	56	empty
2	256	0.52	0.75	33	EDO
3	69	0.32	0.75	13	EDO

Interfaces

1 interface between chains.

A–B · 848 Å² buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

6MOI · Dimeric DARPin C_angle_R5 complex with EpoR · the same entry in another collection · chain A against A, TM-score 1.00
P19235 · AlphaFold monomer V2.0 prediction for erythropoietin receptor (P19235) · a predicted model of the same protein · chain B against A, TM-score 0.92

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 P19235
Elsewhere: RCSB PDB 6MOI · PDBe 6MOI · UniProt P19235

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.