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MolNFT v1 · #92506 · protein

Crystal structure of AMP phosphorylase C-terminal deletion mutant in the apo-form

4GA5 · Putative thymidine phosphorylase: “Crystal structure of AMP phosphorylase C-terminal deletion mutant in the apo-form”. X-ray diffraction, 20 pockets (best druggability 0.79). MolNFT v1 #92506 on GenesisL1: 3D structure, binding…

PDB
4GA5
Type
protein
Length
3,944 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative thymidine phosphorylase
EC
2.4.2.4
UniProt
Q5JCX3
Pockets
20 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B, A, C, D, E, F, G, HPutative thymidine phosphorylase (EC 2.4.2.4)protein49344% helix, 20% strandQ5JCX3

Pockets

20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19020.790.8186empty
26710.760.8264empty
37640.750.8082empty
47700.740.7962empty
56980.730.7963empty

Interfaces

13 interfaces between chains.

  • D–H · 1665 Ų buried · 13 hydrogen bonds · protein-protein
  • C–G · 1646 Ų buried · 13 hydrogen bonds · protein-protein
  • B–F · 1643 Ų buried · 14 hydrogen bonds · protein-protein
  • A–C · 302 Ų buried · 0 hydrogen bonds · protein-protein
  • B–D · 287 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 4GA5 · Crystal structure of AMP phosphorylase C-terminal deletion mutant in the apo-form · the same entry in another collection · chain H against H, TM-score 1.00
  • Q5JCX3 · AlphaFold monomer V2.0 prediction for AMP phosphorylase (Q5JCX3) · a predicted model of the same protein · chain G against A, TM-score 0.99

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