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MolNFT v1 · #188659 · protein + DNA

Mvv cleaved synaptic complex (csc) intasome at 3.4 a resolution

7U32 · Integrase: “Mvv cleaved synaptic complex (csc) intasome at 3.4 a resolution”. Electron microscopy, 2 ligands (ZN, CA), 20 pockets (best druggability 0.87). MolNFT v1 #188659 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
7U32
Type
protein + DNA
Length
3,866 residues
Chains
20
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Integrase; DNA EV273; DNA EV272
EC
2.7.7.-, 3.1.-.-
UniProt
P35956
Ligands
ZN, CA
Pockets
20 · best druggability 0.87

Structure

electron microscopy · 9 distinct chains · 43% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, IIntegrase (EC 2.7.7.-, 3.1.-.-)protein27639% helix, 22% strandP35956
B, JIntegrase (EC 2.7.7.-, 3.1.-.-)protein20453% helix, 16% strandP35956
C, KIntegrase (EC 2.7.7.-, 3.1.-.-)protein26241% helix, 19% strandP35956
D, H, L, PIntegrase (EC 2.7.7.-, 3.1.-.-)protein21739% helix, 28% strandP35956
E, MIntegrase (EC 2.7.7.-, 3.1.-.-)protein26042% helix, 21% strandP35956
F, NIntegrase (EC 2.7.7.-, 3.1.-.-)protein26141% helix, 22% strandP35956
G, OIntegrase (EC 2.7.7.-, 3.1.-.-)protein20450% helix, 13% strandP35956
X, YDNA EV273dna17——
W, ZDNA EV272dna15——

Ligands and binding sites

  • ZN · Zinc ion · metal · 12 copies · chains A, B, C, E, F, G, I, J, K, M, N, O
  • CA · Calcium ion · metal · 2 copies · chains A, Z, W, I

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
17720.870.90107empty
211370.830.8483empty
311260.830.8488empty
48790.830.85116empty
57730.820.8595empty

Interfaces

65 interfaces between chains.

  • J–K · 1527 Ų buried · 8 hydrogen bonds · protein-protein
  • B–C · 1520 Ų buried · 8 hydrogen bonds · protein-protein
  • M–N · 1472 Ų buried · 2 hydrogen bonds · protein-protein
  • E–F · 1468 Ų buried · 2 hydrogen bonds · protein-protein
  • I–J · 1422 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 7U32 · MVV cleaved synaptic complex (CSC) intasome at 3.4 A resolution · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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