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MolNFT v1 · #100834 · protein

Crystal structure of the vif-cbfbeta-CUL5-elob-eloc pentameric complex

4N9F · Cullin-5: “Crystal structure of the vif-cbfbeta-CUL5-elob-eloc pentameric complex”. X-ray diffraction, 1 ligand (ZN), 20 pockets (best druggability 0.81). MolNFT v1 #100834 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
4N9F
Type
protein
Length
9,494 residues
Chains
60
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cullin-5; Transcription elongation factor B polypeptide 1; Transcription elongation…
UniProt
Q93034, Q15369, Q15370, Q13951, Q72499
Ligands
ZN
Pockets
20 · best druggability 0.81

Structure

x-ray diffraction · 29 distinct chains · 51% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
UCullin-5protein29979% helix, 0% strandQ93034
Y, E, Q, Z, h, n, t, z, 5, T, BTranscription elongation factor B polypeptide 1protein8747% helix, 15% strandQ15369
X, D, g, m, s, y, 4, HTranscription elongation factor B polypeptide 2protein9516% helix, 28% strandQ15370
aCore-binding factor subunit betaprotein14632% helix, 33% strandQ13951
bVirion infectivity factorprotein17231% helix, 25% strandQ72499
C, lCullin-5protein29778% helix, 0% strandQ93034
FCore-binding factor subunit betaprotein14532% helix, 33% strandQ13951
G, S, d, v, 1, 7, 2Virion infectivity factorprotein17032% helix, 23% strandQ72499
I, V, f, rCullin-5protein29680% helix, 0% strandQ93034
KTranscription elongation factor B polypeptide 1protein8649% helix, 13% strandQ15369
JTranscription elongation factor B polypeptide 2protein9016% helix, 29% strandQ15370
LCore-binding factor subunit betaprotein14431% helix, 34% strandQ13951
MVirion infectivity factorprotein17132% helix, 25% strandQ72499
OCullin-5protein29881% helix, 0% strandQ93034
PTranscription elongation factor B polypeptide 2protein9415% helix, 34% strandQ15370
R, 0Core-binding factor subunit betaprotein14431% helix, 33% strandQ13951
WTranscription elongation factor B polypeptide 2protein9118% helix, 29% strandQ15370
cCore-binding factor subunit betaprotein14533% helix, 33% strandQ13951
iCore-binding factor subunit betaprotein15533% helix, 32% strandQ13951
jVirion infectivity factorprotein17034% helix, 25% strandQ72499
o, uCore-binding factor subunit betaprotein14332% helix, 34% strandQ13951
p, qVirion infectivity factorprotein16933% helix, 25% strandQ72499
xCullin-5protein29481% helix, 0% strandQ93034
3, 9Cullin-5protein29580% helix, 0% strandQ93034
6Core-binding factor subunit betaprotein14032% helix, 33% strandQ13951
eTranscription elongation factor B polypeptide 2protein7919% helix, 35% strandQ15370
kCore-binding factor subunit betaprotein14734% helix, 33% strandQ13951
wCullin-5protein29679% helix, 0% strandQ93034
NCore-binding factor subunit betaprotein14532% helix, 31% strandQ13951

Ligands and binding sites

  • ZN · Zinc ion · metal · 12 copies · chains b, G, M, S, c, d, j, o, p, v, 1, 7, k, q, 2

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
110890.810.8393empty
29130.800.8282empty
36880.800.8471empty
411070.780.8087empty
56080.780.8463empty

Interfaces

135 interfaces between chains.

  • i–j · 2443 Ų buried · 28 hydrogen bonds · protein-protein
  • 0–1 · 2369 Ų buried · 32 hydrogen bonds · protein-protein
  • 6–7 · 2363 Ų buried · 29 hydrogen bonds · protein-protein
  • L–M · 2356 Ų buried · 29 hydrogen bonds · protein-protein
  • a–b · 2353 Ų buried · 26 hydrogen bonds · protein-protein

Compared structures

  • 4N9F · Crystal structure of the Vif-CBFbeta-CUL5-ElOB-ElOC pentameric complex · the same entry in another collection · chain K against K, TM-score 1.00

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