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MolNFT v1 · #128030 · protein

Enah EVH1 in complex with ac-[2-cl-F]-[prom-2]-[prom-13]-oet

5NEG: “Enah EVH1 in complex with ac-[2-cl-F]-[prom-2]-[prom-13]-oet”. X-ray diffraction, 3 ligands (8VK, NO3, SO4). MolNFT v1 #128030 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5NEG
Type
protein
Length
218 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q8N8S7
Ligands
8VK, NO3, SO4

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B—protein109—Q8N8S7

Ligands and binding sites

  • 8VK · Ethyl (3~{S},7~{R},10~{R},11~{R},13~{S})-4-[(3~{S}, 6~{R},8~{A}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3, 8~{A}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-11-ethyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylate · ligand · 2 copies · chains A, B
  • NO3 · Nitrate ion · ion · 7 copies · chains A, B
  • SO4 · Sulfate ion · ion · chains B

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

Compared structures

  • 5NEG · ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-13]-OEt · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8N8S7 · AlphaFold monomer V2.0 prediction for protein enabled homolog (Q8N8S7) · a predicted model of the same protein · chain A against A, TM-score 0.99

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