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The 1.9-a crystal structure of the noncollagenous (NC1) domain of human placenta collagen IV shows stabilization via a novel type of covalent met-lys cross-link

Analyse The 1.9-a crystal structure of the noncollagenous (NC1) domain of human… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1LI1
Type
protein
Length
1,359 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Collagen alpha 1(IV); Collagen alpha 2(IV)
UniProt
P02462, P08572
Pockets
15 · best druggability 0.89

Structure

x-ray diffraction · 4 distinct chains · 9% helix, 45% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, DCollagen alpha 1(IV)protein22810% helix, 44% strandP02462
B, ECollagen alpha 1(IV)protein22710% helix, 44% strandP02462
CCollagen alpha 2(IV)protein2247% helix, 46% strandP08572
FCollagen alpha 2(IV)protein2257% helix, 45% strandP08572

Ligands and binding sites

  • ACT · Acetate ion · additive · 9 copies · chains A, B, D, F, C, E

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111660.890.90122empty
27820.860.8975empty
32610.620.8038ACT
42490.600.8041ACT
5550.590.9120empty

Interfaces

15 interfaces between chains.

  • D–E · 2381 Ų buried · 32 hydrogen bonds · protein-protein
  • A–B · 2380 Ų buried · 36 hydrogen bonds · protein-protein
  • E–F · 2275 Ų buried · 37 hydrogen bonds · protein-protein
  • B–C · 2264 Ų buried · 41 hydrogen bonds · protein-protein
  • D–F · 2257 Ų buried · 36 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 36 disulfide (disulfide).

Compared structures

  • 1LI1 · The 1.9-A crystal structure of the noncollagenous (NC1) domain of human placenta collagen… · the same entry in another collection · chain F against F, TM-score 1.00
  • P02462 · AlphaFold monomer V2.0 prediction for collagen alpha-1(IV) chain (P02462) · a predicted model of the same protein · chain B against A, TM-score 0.99
  • P08572 · AlphaFold monomer V2.0 prediction for collagen alpha-2(IV) chain (P08572) · a predicted model of the same protein · chain C against A, TM-score 0.99

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