MolNFT v1 · #113683 · protein

Geotrichum candidum CEL7A apo structure at 2.1A

5AMP · Cellobiohydrolase I: “Geotrichum candidum CEL7A apo structure at 2.1A”. X-ray diffraction, 1 ligand (NAG), 1 pocket (best druggability 0.82). MolNFT v1 #113683 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5AMP
Type: protein
Length: 438 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cellobiohydrolase I
EC: 3.2.1.176
UniProt: A0A088T0J9
Ligands: NAG
Pockets: 1 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 14% helix, 36% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cellobiohydrolase I (EC 3.2.1.176)	protein	438	14% helix, 36% strand	A0A088T0J9

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A
GOL · Glycerol · additive · 2 copies · chains A
PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	929	0.82	0.84	87	GOL

Modifications

Observed in the structure: 8 disulfide, 3 glycan, 1 modified (disulfide, N-glycosylation, cyclization).

Compared structures

5AMP · Geotrichum candidum Cel7A apo structure at 2.1A · 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 A0A088T0J9
Elsewhere: RCSB PDB 5AMP · PDBe 5AMP · UniProt A0A088T0J9

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