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MolNFT v1 · #103065 · protein

Octomer formed by a macrocyclic peptide derived from beta-2- microglobulin (63-69) - (ORN)YLL(PHI)YTE(ORN)KVT(MVA)TVK

4P4Z · Cyclic hexadecapeptide (ORN)YLL(PHI)YTE(ORN)KVT(MVA)TVK: “Octomer formed by a macrocyclic peptide derived from beta-2- microglobulin (63-69)…”. X-ray diffraction, 2 ligands (NA, PO4). MolNFT v1 #103065 on GenesisL1: 3D structure…

PDB
4P4Z
Type
protein
Length
192 residues
Chains
12
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cyclic hexadecapeptide (ORN)YLL(PHI)YTE(ORN)KVT(MVA)TVK
Ligands
NA, PO4

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(PHI)YTE(ORN)KVT(MVA)TVKprotein160% helix, 69% strand—

Ligands and binding sites

  • NA · Sodium ion · metal · 3 copies · chains B, D, E, K, H, I
  • PO4 · Phosphate ion · ion · 5 copies · chains A, F, G, B, D, E, K, C, J, L

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

Interfaces

35 interfaces between chains.

  • I–J · 316 Ų buried · 0 hydrogen bonds · protein-protein
  • G–H · 316 Ų buried · 0 hydrogen bonds · protein-protein
  • E–F · 314 Ų buried · 0 hydrogen bonds · protein-protein
  • B–C · 309 Ų buried · 1 hydrogen bond · protein-protein
  • K–L · 305 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 48 modified (nonstandard, methylation).

Compared structures

  • 4P4Z · Octomer 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

Analyse

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