MolNFT v1 · #174683 · protein

Crystal structure of aoflea from arthrobotrys oligospora in complex with methylated L-fucose

7C39 · Aoflca: “Crystal structure of aoflea from arthrobotrys oligospora in complex with methylated L-fucose”. X-ray diffraction, 1 ligand (MFU), 5 pockets (best druggability 0.89). MolNFT v1 #174683 on GenesisL1: 3D structure, binding…

PDB: 7C39
Type: protein
Length: 690 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Aoflca
UniProt: G1XA82
Ligands: MFU
Pockets: 5 · best druggability 0.89

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Aoflca	protein	346	2% helix, 52% strand	G1XA82
B	Aoflca	protein	344	2% helix, 52% strand	G1XA82

Ligands and binding sites

MFU · methyl alpha-L-fucopyranoside · ligand · 6 copies · chains A, B
CIT · Citric acid · additive · 2 copies · chains A, B
GOL · Glycerol · additive · chains B

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

Pockets

5 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	1197	0.89	0.91	146	empty
2	570	0.83	0.88	53	empty
3	116	0.51	0.81	30	empty
4	106	0.50	0.82	27	empty
5	61	0.46	0.83	21	empty

Interfaces

1 interface between chains.

A–B · 1810 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

7C39 · Crystal structure of AofleA from Arthrobotrys oligospora in complex with methylated… · 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 G1XA82
Elsewhere: RCSB PDB 7C39 · PDBe 7C39 · UniProt G1XA82

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