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MolNFT v1 · #67618 · protein

Crystal structure of fluorine and methyl modified collagen: (MEPFLPGLY)7

3IPN · Non-natural collagen: “Crystal structure of fluorine and methyl modified collagen: (MEPFLPGLY)7”. X-ray diffraction, 1 ligand (CO3). MolNFT v1 #67618 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3IPN
Type
protein
Length
118 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Non-natural collagen
Ligands
CO3

Structure

x-ray diffraction · 3 distinct chains · 0% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, E, FNon-natural collagenprotein200% helix, 0% strand—
BNon-natural collagenprotein190% helix, 0% strand—
DNon-natural collagenprotein190% helix, 0% strand—

Ligands and binding sites

  • CO3 · Carbonate ion · ion · 4 copies · chains A, C, B, D, F, E

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

Interfaces

12 interfaces between chains.

  • A–C · 663 Ų buried · 6 hydrogen bonds · protein-protein
  • E–F · 663 Ų buried · 6 hydrogen bonds · protein-protein
  • D–F · 651 Ų buried · 6 hydrogen bonds · protein-protein
  • B–C · 650 Ų buried · 7 hydrogen bonds · protein-protein
  • D–E · 601 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 82 modified (nonstandard).

Compared structures

  • 3IPN · Crystal Structure of fluorine and methyl modified collagen: (mepFlpgly)7 · the same entry in another collection · chain B against B, TM-score 1.00

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