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MolNFT v1 · #109217 · protein

Double-heterohexameric rings of full-length RVB1(ADP)/RVB2(ADP)

4WW4 · Ruvb-like 1: “Double-heterohexameric rings of full-length RVB1(ADP)/RVB2(ADP)”. X-ray diffraction, 1 ligand (ADP), 12 pockets (best druggability 0.83). MolNFT v1 #109217 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4WW4
Type
protein
Length
851 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ruvb-like 1; Ruvb-like 2
EC
3.6.4.12
UniProt
G0RYI5, G0RYC2
Ligands
ADP
Pockets
12 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARuvb-like 1 (EC 3.6.4.12)protein41638% helix, 21% strandG0RYI5
BRuvb-like 2 (EC 3.6.4.12)protein43540% helix, 23% strandG0RYC2

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B

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

Pockets

12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18670.830.8585ADP
25990.790.8460empty
31740.690.8827ADP
43630.600.7642empty
52030.550.7926empty

Interfaces

1 interface between chains.

  • A–B · 2542 Ų buried · 23 hydrogen bonds · protein-protein

Compared structures

  • 4WW4 · Double-heterohexameric rings of full-length Rvb1(ADP)/Rvb2(ADP) · the same entry in another collection · chain A against A, TM-score 1.00

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