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Crystal structure of ISL1 lim domains with LDB1 lim-interaction domain

Analyse Crystal structure of ISL1 lim domains with LDB1 lim-interaction domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4JCJ
Type
protein
Length
442 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Insulin gene enhancer protein isl-1,LIM domain-binding protein 1
UniProt
P61372, P70662
Ligands
ZN
Pockets
5 · best druggability 0.35

Structure

x-ray diffraction · 3 distinct chains · 11% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AInsulin gene enhancer protein isl-1,LIM domain-binding protein 1protein14411% helix, 36% strandP61372, P70662
BInsulin gene enhancer protein isl-1,LIM domain-binding protein 1protein14811% helix, 32% strandP61372, P70662
CInsulin gene enhancer protein isl-1,LIM domain-binding protein 1protein15012% helix, 34% strandP61372, P70662

Ligands and binding sites

  • ZN · Zinc ion · metal · 12 copies · chains A, B, C

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

Pockets

5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11190.350.7219empty
2590.300.7518empty
3660.300.7413empty
4630.280.7318empty
5590.280.7412empty

Interfaces

2 interfaces between chains.

  • A–B · 355 Ų buried · 9 hydrogen bonds · protein-protein
  • A–C · 214 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 4JCJ · Crystal structure of Isl1 LIM domains with Ldb1 LIM-interaction domain · the same entry in another collection · chain A against A, TM-score 1.00
  • P61372 · AlphaFold monomer V2.0 prediction for insulin gene enhancer protein isl-1 (P61372) · a predicted model of the same protein · chain C against A, TM-score 0.88
  • P70662 · AlphaFold monomer V2.0 prediction for lim domain-binding protein 1 (P70662) · a predicted model of the same protein · chain A against A, TM-score 0.30

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