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MolNFT v1 · #181376 · protein + DNA

Nhej long-range synaptic complex

7LT3 · X-ray repair cross-complementing protein 6: “Nhej long-range synaptic complex”. Electron microscopy, 1 ligand (ADP), 20 pockets (best druggability 0.87). MolNFT v1 #181376 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
7LT3
Type
protein + DNA
Length
11,423 residues
Chains
20
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
X-ray repair cross-complementing protein 6; X-ray repair cross-complementing protein 5…
EC
3.6.4.-, 4.2.99.-, 2.7.11.1, 6.5.1.1
UniProt
P12956, P13010, P78527, Q13426, Q9H9Q4, P49917
Ligands
ADP
Pockets
20 · best druggability 0.87

Structure

electron microscopy · 11 distinct chains · 56% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, JX-ray repair cross-complementing protein 6 (EC 3.6.4.-, 4.2.99.-)protein49730% helix, 22% strandP12956
B, KX-ray repair cross-complementing protein 5 (EC 3.6.4.-)protein53132% helix, 22% strandP13010
C, LDNA-dependent protein kinase catalytic subunit (EC 2.7.11.1)protein372065% helix, 2% strandP78527
Q, RUnknown peptideprotein2055% helix, 0% strand—
D, MDNA (31-mer)dna31——
E, NDNA (30-mer)dna30——
F, PDNA repair protein XRCC4protein21350% helix, 25% strandQ13426
G, ODNA repair protein XRCC4protein19553% helix, 29% strandQ13426
HNon-homologous end-joining factor 1protein22349% helix, 25% strandQ9H9Q4
INon-homologous end-joining factor 1protein21847% helix, 25% strandQ9H9Q4
X, YDNA ligase 4 (EC 6.5.1.1)protein25441% helix, 12% strandP49917

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains C, L

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
18260.870.9085empty
28600.850.8798empty
39940.850.86124empty
47740.850.8892empty
510120.840.85121empty

Interfaces

43 interfaces between chains.

  • J–K · 9172 Ų buried · 99 hydrogen bonds · protein-protein
  • A–B · 9152 Ų buried · 98 hydrogen bonds · protein-protein
  • H–I · 3277 Ų buried · 31 hydrogen bonds · protein-protein
  • O–P · 2813 Ų buried · 18 hydrogen bonds · protein-protein
  • F–G · 2812 Ų buried · 18 hydrogen bonds · protein-protein

Compared structures

  • 7LT3 · NHEJ Long-range synaptic complex · the same entry in another collection · chain K against K, TM-score 1.00

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