MolNFT v1 · #122503 · protein

Crystal structure of novel cellulases from microbes associated with the gut ecosystem

5IR2: “Crystal structure of novel cellulases from microbes associated with the gut ecosystem”. X-ray diffraction, 1 ligand (SRT), 2 pockets (best druggability 0.38). MolNFT v1 #122503 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 5IR2
Type: protein
Length: 222 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cellulase
UniProt: B7BGD3
Ligands: SRT
Pockets: 2 · best druggability 0.38

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cellulase	protein	222	35% helix, 26% strand	B7BGD3

Ligands and binding sites

SRT · S,R meso-tartaric acid · ligand · chains A
EDO · 1,2-ethanediol · additive · 2 copies · chains A
NHE · 2-[N-cyclohexylamino]ethane sulfonic acid · additive · chains A

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

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	81	0.38	0.77	22	SRT
2	51	0.26	0.74	15	empty

Modifications

Observed in the structure: 7 modified (engineered).

Compared structures

5IR2 · Crystal structure of novel cellulases from microbes associated with the gut ecosystem · 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 B7BGD3
Elsewhere: RCSB PDB 5IR2 · PDBe 5IR2 · UniProt B7BGD3

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