MolNFT v1 · #59793 · protein

The crystal structure of rraa from PAO1

3C8O · Regulator of ribonuclease activity a: “The crystal structure of rraa from PAO1”. X-ray diffraction, 3 pockets (best druggability 0.54). MolNFT v1 #59793 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3C8O
Type: protein
Length: 321 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Regulator of ribonuclease activity a
UniProt: Q9I2W7
Pockets: 3 · best druggability 0.54

Structure

x-ray diffraction · 2 distinct chains · 17% helix, 33% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Regulator of ribonuclease activity a	protein	160	17% helix, 34% strand	Q9I2W7
B	Regulator of ribonuclease activity a	protein	161	16% helix, 33% strand	Q9I2W7

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 41 copies · chains A, B
PEG · Di(hydroxyethyl)ether · additive · 11 copies · chains A, B
PGE · Triethylene glycol · additive · 4 copies · chains A, B
PG4 · Tetraethylene glycol · additive · chains B

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

Pockets

3 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	185	0.54	0.79	26	EDO, PGE, PEG
2	103	0.37	0.75	18	EDO
3	51	0.35	0.79	14	EDO

Interfaces

1 interface between chains.

A–B · 211 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

3C8O · The Crystal Structure of RraA from PAO1 · the same entry in another collection · chain A against A, TM-score 1.00
Q9I2W7 · AlphaFold monomer V2.0 prediction for putative 4-hydroxy-4-methyl-2-oxoglutarate aldolase… · a predicted model of the same protein · chain B against A, TM-score 0.99

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 Q9I2W7
Elsewhere: RCSB PDB 3C8O · PDBe 3C8O · UniProt Q9I2W7

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