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Crystal structure of collagen IV NC1 domain from placenta basement membrane

Analyse Crystal structure of collagen IV NC1 domain from placenta basement membrane in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1T61
Type
protein
Length
1,338 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Type IV collagen
UniProt
Q7SIB3
Ligands
K, CA, CL
Pockets
20 · best druggability 0.88

Structure

x-ray diffraction · 4 distinct chains · 10% helix, 44% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AType IV collagenprotein22310% helix, 44% strand—
BType IV collagenprotein22310% helix, 45% strand—
C, FType IV collagenprotein2229% helix, 45% strandQ7SIB3
D, EType IV collagenprotein22410% helix, 44% strand—

Ligands and binding sites

  • K · Potassium ion · metal · 6 copies · chains A, D, E, B, C, F
  • CA · Calcium ion · metal · 2 copies · chains C, E, F, B
  • CL · Chloride ion · ion · 6 copies · chains A, B, C, D, E, F
  • GOL · Glycerol · additive · 7 copies · chains A, B, C, D, F, E

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18910.880.9195CA
26090.810.8651empty
33210.780.8851empty
4580.610.9220empty
51070.610.8725GOL

Interfaces

13 interfaces between chains.

  • E–F · 2244 Ų buried · 37 hydrogen bonds · protein-protein
  • B–C · 2203 Ų buried · 40 hydrogen bonds · protein-protein
  • A–B · 2182 Ų buried · 30 hydrogen bonds · protein-protein
  • D–F · 2162 Ų buried · 31 hydrogen bonds · protein-protein
  • A–C · 2136 Ų buried · 32 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 36 disulfide (disulfide).

Compared structures

  • 1T61 · crystal structure of collagen IV NC1 domain from placenta basement membrane · the same entry in another collection · chain F against F, TM-score 1.00
  • Q7SIB3 · AlphaFold monomer V2.0 prediction for collagen alpha-2(IV) chain (Q7SIB3) · a predicted model of the same protein · chain F against A, TM-score 0.99

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