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MolNFT v1 · #8132 · protein

Solution structure of groes-ADP7-groel-ATP7 complex by cryo-EM

1GRU: “Solution structure of groes-ADP7-groel-ATP7 complex by cryo-EM”. Electron microscopy, 20 pockets (best druggability 0.81). MolNFT v1 #8132 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1GRU
Type
protein
Length
8,015 residues
Chains
21
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Groel; Groes
UniProt
P06139, P05380
Pockets
20 · best druggability 0.81

Structure

electron microscopy · 2 distinct chains · 42% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, H, I, J, K, L, M, NGroelprotein52450% helix, 15% strandP06139
O, P, Q, R, S, T, UGroesprotein970% helix, 38% strandP05380

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13760.810.9057empty
23880.810.9060empty
37810.810.8488empty
44020.810.9057empty
53980.810.8959empty

Interfaces

46 interfaces between chains.

  • C–D · 1576 Ų buried · 20 hydrogen bonds · protein-protein
  • A–G · 1569 Ų buried · 20 hydrogen bonds · protein-protein
  • K–L · 1564 Ų buried · 25 hydrogen bonds · protein-protein
  • B–C · 1555 Ų buried · 20 hydrogen bonds · protein-protein
  • D–E · 1553 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 1GRU · Solution structure of groes-ADP7-groel-ATP7 complex by cryo-EM · the same entry in another collection · chain A against A, TM-score 1.00

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