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MolNFT v1 · #172141 · protein

M2 mutant (R111K:Y134F:T54V:R132Q:P39Y:R59Y) of human cellular retinoic acid binding protein II - 6 conjugate

6ZSW · Cellular retinoic acid-binding protein 2: “M2 mutant (R111K:Y134F:T54V:R132Q:P39Y:R59Y) of human cellular retinoic acid binding protein II - 6 conjugate”. X-ray diffraction, 1 ligand (QPB), 1 pocket (best druggability 0.72). MolNFT…

PDB
6ZSW
Type
protein
Length
138 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cellular retinoic acid-binding protein 2
UniProt
P29373
Ligands
QPB
Pockets
1 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 13% helix, 54% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACellular retinoic acid-binding protein 2protein13813% helix, 54% strandP29373

Ligands and binding sites

  • QPB · methyl (~{Z})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoate · ligand · chains A
  • ACT · Acetate ion · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13860.720.8339QPB

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

  • 6ZSW · M2 mutant (R111K:Y134F:T54V:R132Q:P39Y:R59Y) of human cellular retinoic acid binding… · the same entry in another collection · chain A against A, TM-score 1.00

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