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MolNFT v1 · #165979 · protein

Crystal structure of human ZCCHC4 in complex with sah

6UCA · RRNA N6-adenosine-methyltransferase ZCCHC4: “Crystal structure of human ZCCHC4 in complex with sah”. X-ray diffraction, 2 ligands (SAH, ZN), 20 pockets (best druggability 0.78). MolNFT v1 #165979 on GenesisL1: 3D structure, binding…

PDB
6UCA
Type
protein
Length
2,409 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RRNA N6-adenosine-methyltransferase ZCCHC4
EC
2.1.1.-
UniProt
Q9H5U6
Ligands
SAH, ZN
Pockets
20 · best druggability 0.78

Structure

x-ray diffraction · 6 distinct chains · 29% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARRNA N6-adenosine-methyltransferase ZCCHC4 (EC 2.1.1.-)protein41329% helix, 20% strandQ9H5U6
BRRNA N6-adenosine-methyltransferase ZCCHC4 (EC 2.1.1.-)protein39329% helix, 19% strandQ9H5U6
CRRNA N6-adenosine-methyltransferase ZCCHC4 (EC 2.1.1.-)protein38730% helix, 19% strandQ9H5U6
DRRNA N6-adenosine-methyltransferase ZCCHC4 (EC 2.1.1.-)protein41629% helix, 21% strandQ9H5U6
ERRNA N6-adenosine-methyltransferase ZCCHC4 (EC 2.1.1.-)protein40229% helix, 19% strandQ9H5U6
FRRNA N6-adenosine-methyltransferase ZCCHC4 (EC 2.1.1.-)protein39827% helix, 18% strandQ9H5U6

Ligands and binding sites

  • SAH · S-adenosyl-L-homocysteine · ligand · 6 copies · chains A, B, C, D, E, F
  • ZN · Zinc ion · metal · 36 copies · chains A, B, C, D, E, F

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110760.780.80103empty
21090.780.9729SAH
31110.770.9632SAH
47760.770.8192empty
51330.760.9429SAH

Interfaces

9 interfaces between chains.

  • A–D · 1157 Ų buried · 9 hydrogen bonds · protein-protein
  • D–E · 600 Ų buried · 2 hydrogen bonds · protein-protein
  • C–E · 548 Ų buried · 9 hydrogen bonds · protein-protein
  • B–F · 530 Ų buried · 7 hydrogen bonds · protein-protein
  • B–C · 402 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 6UCA · Crystal structure of human ZCCHC4 in complex with SAH · the same entry in another collection · chain F against F, TM-score 1.00
  • Q9H5U6 · AlphaFold monomer V2.0 prediction for rRNA N6-adenosine- methyltransferase ZCCHC4 (Q9H5U6) · a predicted model of the same protein · chain E against A, TM-score 0.98

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