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A complex between acidic fibroblast growth factor and 5-amino-2- naphthalenesulfonate

Analyse A complex between acidic fibroblast growth factor and 5-amino-2… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1HKN
Type
protein
Length
772 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Heparin-binding growth factor 1
UniProt
P05230
Ligands
N2M
Pockets
9 · best druggability 0.75

Structure

x-ray diffraction · 4 distinct chains · 11% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, FHeparin-binding growth factor 1protein1289% helix, 41% strandP05230
CHeparin-binding growth factor 1protein12912% helix, 43% strandP05230
DHeparin-binding growth factor 1protein12914% helix, 40% strandP05230
EHeparin-binding growth factor 1protein1309% helix, 39% strandP05230

Ligands and binding sites

  • N2M · 5-amino-naphtalene-2-monosulfonate · ligand · 2 copies · chains B, C, D

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

Pockets

9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12690.750.8840empty
22960.690.8345empty
3600.460.8421empty
42180.450.7326empty
51680.430.7431empty

Interfaces

7 interfaces between chains.

  • D–F · 639 Ų buried · 5 hydrogen bonds · protein-protein
  • C–E · 620 Ų buried · 4 hydrogen bonds · protein-protein
  • A–F · 567 Ų buried · 4 hydrogen bonds · protein-protein
  • B–E · 552 Ų buried · 7 hydrogen bonds · protein-protein
  • B–C · 374 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 1HKN · A complex between acidic fibroblast growth factor and 5-amino-2-naphthalenesulfonate · the same entry in another collection · chain F against F, TM-score 1.00
  • P05230 · AlphaFold monomer V2.0 prediction for fibroblast growth factor 1 (P05230) · a predicted model of the same protein · chain A against A, TM-score 0.99

Analyse

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