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MolNFT v1 · #187487 · protein

Crystal structure of a Fab variant containing a fluorescent noncanonical amino acid with blocked excited state proton transfer and in complex with its antigen, CD40L

7SGM: “Crystal structure of a Fab variant containing a fluorescent noncanonical amino acid with blocked excited…”. X-ray diffraction, 2 ligands (TMO, NAG). MolNFT v1 #187487 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7SGM
Type
protein
Length
1,693 residues
Chains
9
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P29965
Ligands
TMO, NAG

Structure

x-ray diffraction · 9 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein137—P29965
B—protein140—P29965
C—protein137—P29965
H—protein211——
L—protein208——
K—protein213——
M—protein217——
X—protein214——
Y—protein216——

Ligands and binding sites

  • TMO · trimethylamine oxide · ligand · 3 copies · chains L, M, Y
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A, B, C
  • PEG · Di(hydroxyethyl)ether · additive · 13 copies · chains A, B, C, H, L, K, M, X, Y
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A, B, C

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

Compared structures

  • 7SGM · Crystal structure of a Fab variant containing a fluorescent noncanonical amino acid with… · the same entry in another collection · chain Y against Y, TM-score 1.00
  • P29965 · AlphaFold monomer V2.0 prediction for CD40 ligand (P29965) · a predicted model of the same protein · chain B against A, TM-score 0.99

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