MolNFT v1 · #107605 · protein

Crystal structure of the GH95 enzyme BACOVA_03438

4UFC: “Crystal structure of the GH95 enzyme BACOVA_03438”. X-ray diffraction, 2 ligands (GIV, CA), 15 pockets (best druggability 0.77). MolNFT v1 #107605 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4UFC
Type: protein
Length: 1,575 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: GH95
UniProt: A7M011
Ligands: GIV, CA
Pockets: 15 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	GH95	protein	787	33% helix, 26% strand	A7M011
B	GH95	protein	788	33% helix, 26% strand	A7M011

Ligands and binding sites

GIV · beta-L-galactopyranose · ligand · 2 copies · chains A, B
CA · Calcium ion · metal · 3 copies · chains A, B
CAC · Cacodylate ion · additive · 2 copies · chains A, B

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

Pockets

15 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	90	0.77	0.98	20	empty
2	1171	0.76	0.79	105	CA
3	175	0.74	0.91	39	empty
4	80	0.57	0.87	22	empty
5	186	0.53	0.79	41	empty

Interfaces

1 interface between chains.

A–B · 579 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

4UFC · Crystal structure of the GH95 enzyme BACOVA_03438 · 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 A7M011
Elsewhere: RCSB PDB 4UFC · PDBe 4UFC · UniProt A7M011

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