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MolNFT v1 · #49925 · protein

Crystal structure of ni human arg-insulin

2R36: “Crystal structure of ni human arg-insulin”. X-ray diffraction, 3 ligands (NI, NA, CL). MolNFT v1 #49925 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2R36
Type
protein
Length
104 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Insulin
UniProt
P01308
Ligands
NI, NA, CL

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CInsulinprotein2250% helix, 5% strandP01308
B, DInsulinprotein3037% helix, 10% strandP01308

Ligands and binding sites

  • NI · Nickel (II) ion · metal · 4 copies · chains B, D
  • NA · Sodium ion · metal
  • CL · Chloride ion · ion · chains D

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

Interfaces

5 interfaces between chains.

  • C–D · 864 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 819 Ų buried · 12 hydrogen bonds · protein-protein
  • B–D · 690 Ų buried · 6 hydrogen bonds · protein-protein
  • B–C · 53 Ų buried · 0 hydrogen bonds · protein-protein
  • A–D · 43 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 2R36 · Crystal structure of ni human ARG-insulin · the same entry in another collection · chain A against A, TM-score 1.00

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