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MolNFT v1 · #103063 · protein

Dodecamer formed by a macrocyclic peptide derived from beta-2- microglobulin (63-69) - (ORN)YLL(PHI)YTE(ORN)KVA(MLE)AVK

4P4X · Cyclic hexadecapeptide (ORN)YLL(PH7)YTE(ORN)KVA(MLE)AVK: “Dodecamer formed by a macrocyclic peptide derived from beta-2- microglobulin (63-69)…”. X-ray diffraction, 2 ligands (SO4, CL). MolNFT v1 #103063 on GenesisL1: 3D structure…

PDB
4P4X
Type
protein
Length
192 residues
Chains
12
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cyclic hexadecapeptide (ORN)YLL(PH7)YTE(ORN)KVA(MLE)AVK
Ligands
SO4, CL

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 69% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, H, I, J, K, LCyclic hexadecapeptide (ORN)YLL(PH7)YTE(ORN)KVA(MLE)AVKprotein160% helix, 69% strand—

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 8 copies · chains A, F, E, C, K, G, J
  • CL · Chloride ion · ion · 2 copies · chains K, L

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

Interfaces

33 interfaces between chains.

  • F–H · 270 Ų buried · 4 hydrogen bonds · protein-protein
  • B–D · 262 Ų buried · 6 hydrogen bonds · protein-protein
  • G–H · 262 Ų buried · 4 hydrogen bonds · protein-protein
  • C–D · 261 Ų buried · 5 hydrogen bonds · protein-protein
  • D–H · 258 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 48 modified (nonstandard).

Compared structures

  • 4P4X · Dodecamer formed by a macrocyclic peptide derived from beta-2-microglobulin (63-69)… · the same entry in another collection · chain A against A, TM-score 1.00

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