MolNFT v1 · #40216 · protein

Crystal structure analysis of COLE1 rom mutant F14Y

2IJJ · Regulatory protein rop: “Crystal structure analysis of COLE1 rom mutant F14Y”. X-ray diffraction, 2 pockets (best druggability 0.33). MolNFT v1 #40216 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2IJJ
Type: protein
Length: 171 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Regulatory protein rop
UniProt: P03051
Pockets: 2 · best druggability 0.33

Structure

x-ray diffraction · 3 distinct chains · 89% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Regulatory protein rop	protein	58	88% helix, 0% strand	P03051
B	Regulatory protein rop	protein	57	89% helix, 0% strand	P03051
C	Regulatory protein rop	protein	56	89% helix, 0% strand	P03051

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	53	0.33	0.78	15	empty
2	70	0.31	0.74	13	empty

Interfaces

2 interfaces between chains.

A–B · 1491 Å² buried · 10 hydrogen bonds · protein-protein
B–C · 560 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

2IJJ · Crystal structure analysis of ColE1 ROM mutant F14Y · the same entry in another collection · chain A against A, TM-score 1.00
P03051 · AlphaFold monomer V2.0 prediction for regulatory protein rop (P03051) · a predicted model of the same protein · chain C against A, TM-score 0.98

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 P03051
Elsewhere: RCSB PDB 2IJJ · PDBe 2IJJ · UniProt P03051

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