MolNFT v1 · #64046 · protein

Crystal structure of putative trpr protein from ruminococcus obeum

3FRW · Putative TRP repressor protein: “Crystal structure of putative trpr protein from ruminococcus obeum”. X-ray diffraction, 9 pockets (best druggability 0.69). MolNFT v1 #64046 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 3FRW
Type: protein
Length: 750 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative TRP repressor protein
UniProt: A5ZMD8
Pockets: 9 · best druggability 0.69

Structure

x-ray diffraction · 7 distinct chains · 79% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative TRP repressor protein	protein	94	79% helix, 0% strand	A5ZMD8
B	Putative TRP repressor protein	protein	96	76% helix, 0% strand	A5ZMD8
C, H	Putative TRP repressor protein	protein	93	82% helix, 0% strand	A5ZMD8
D	Putative TRP repressor protein	protein	92	78% helix, 0% strand	A5ZMD8
E	Putative TRP repressor protein	protein	96	78% helix, 0% strand	A5ZMD8
F	Putative TRP repressor protein	protein	94	77% helix, 0% strand	A5ZMD8
G	Putative TRP repressor protein	protein	92	80% helix, 0% strand	A5ZMD8

Ligands and binding sites

ACT · Acetate ion · additive · 3 copies · chains B, F, C, D, E

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

Pockets

9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	778	0.69	0.76	80	ACT
2	379	0.63	0.78	34	empty
3	309	0.57	0.77	39	empty
4	328	0.57	0.76	26	empty
5	247	0.50	0.75	29	empty

Interfaces

14 interfaces between chains.

A–B · 2843 Å² buried · 53 hydrogen bonds · protein-protein
E–F · 2749 Å² buried · 44 hydrogen bonds · protein-protein
G–H · 2616 Å² buried · 48 hydrogen bonds · protein-protein
C–D · 2597 Å² buried · 44 hydrogen bonds · protein-protein
B–H · 563 Å² buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 24 modified (engineered).

Compared structures

3FRW · Crystal structure of putative TrpR protein from Ruminococcus obeum · 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 A5ZMD8
Elsewhere: RCSB PDB 3FRW · PDBe 3FRW · UniProt A5ZMD8

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