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MolNFT v1 · #143186 · protein

F9 pilus adhesin fmlh lectin domain from E. COLI UTI89 co-crystallized with ortho-biphenyl-2'-carboxyl N-acetyl-beta-galactosaminoside

6AS8 · Fml fimbrial adhesin fmld: “F9 pilus adhesin fmlh lectin domain from E. COLI UTI89 co-crystallized with ortho-biphenyl-2'-carboxyl…”. X-ray diffraction, 1 ligand (BTG), 1 pocket (best druggability 0.58). MolNFT v1 #143186 on…

PDB
6AS8
Type
protein
Length
306 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fml fimbrial adhesin fmld
UniProt
Q1RBS0
Ligands
BTG
Pockets
1 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 48% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BFml fimbrial adhesin fmldprotein1534% helix, 48% strandQ1RBS0

Ligands and binding sites

  • BTG · ortho-biphenyl-2'-carboxyl N-acetyl-beta-galactosaminoside · ligand · 2 copies · chains A, B

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13840.580.7555empty

Interfaces

1 interface between chains.

  • A–B · 501 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 6AS8 · F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with… · the same entry in another collection · chain A against A, TM-score 1.00

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