MolNFT v1 · #177408 · protein

Chitin oligosaccharide binding protein

7EHP · Chitin oligosaccahride binding protein NAGB1: “Chitin oligosaccharide binding protein”. X-ray diffraction, 1 ligand (NAG), 8 pockets (best druggability 0.84). MolNFT v1 #177408 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 7EHP
Type: protein
Length: 790 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Chitin oligosaccahride binding protein NAGB1
Ligands: NAG
Pockets: 8 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 52% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Chitin oligosaccahride binding protein NAGB1	protein	397	52% helix, 17% strand	—
B	Chitin oligosaccahride binding protein NAGB1	protein	393	52% helix, 16% strand	—

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B

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

Pockets

8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	376	0.84	0.93	54	NAG
2	354	0.83	0.93	53	NAG
3	925	0.72	0.76	76	empty
4	91	0.41	0.78	24	empty
5	75	0.36	0.76	17	empty

Interfaces

1 interface between chains.

A–B · 251 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

7EHP · Chitin oligosaccharide binding protein · 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
Elsewhere: RCSB PDB 7EHP · PDBe 7EHP

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