MolNFT v1 · #71852 · protein

Crystal structure of the fibronectin 6FNI1-2FNII7FNI fragment

3MQL · Fibronectin 1: “Crystal structure of the fibronectin 6FNI1-2FNII7FNI fragment”. X-ray diffraction, 1 ligand (NAG), 3 pockets (best druggability 0.47). MolNFT v1 #71852 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3MQL
Type: protein
Length: 209 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fibronectin 1
UniProt: B7ZLF0
Ligands: NAG
Pockets: 3 · best druggability 0.47

Structure

x-ray diffraction · 1 distinct chain · 3% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Fibronectin 1	protein	209	3% helix, 41% strand	B7ZLF0

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
MRD · (4R)-2-methylpentane-2,4-diol · additive · 2 copies · chains A
MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A

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

Pockets

3 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	153	0.47	0.76	23	empty
2	113	0.46	0.79	17	empty
3	65	0.31	0.75	18	empty

Modifications

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

Compared structures

3MQL · Crystal structure of the fibronectin 6FnI1-2FnII7FnI fragment · 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 B7ZLF0
Elsewhere: RCSB PDB 3MQL · PDBe 3MQL · UniProt B7ZLF0

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