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MolNFT v1 · #61130 · protein

Crystal structure of the HIV vif bc-box in complex with human elonginb and elonginc

3DCG · Transcription elongation factor B polypeptide 2: “Crystal structure of the HIV vif bc-box in complex with human elonginb and elonginc”. X-ray diffraction, 3 pockets (best druggability 0.78). MolNFT v1 #61130 on GenesisL1: 3D…

PDB
3DCG
Type
protein
Length
399 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcription elongation factor B polypeptide 2; Transcription elongation factor B…
UniProt
Q15370, Q15369, P12504
Pockets
3 · best druggability 0.78

Structure

x-ray diffraction · 6 distinct chains · 32% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscription elongation factor B polypeptide 2protein9915% helix, 38% strandQ15370
BTranscription elongation factor B polypeptide 1protein8445% helix, 15% strandQ15369
CTranscription elongation factor B polypeptide 2protein9715% helix, 37% strandQ15370
DTranscription elongation factor B polypeptide 1protein8648% helix, 15% strandQ15369
EVirion infectivity factorprotein1759% helix, 0% strandP12504
FVirion infectivity factorprotein1663% helix, 0% strandP12504

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12100.780.9226empty
23360.710.8452empty
33900.710.8255empty

Interfaces

7 interfaces between chains.

  • A–C · 1186 Ų buried · 26 hydrogen bonds · protein-protein
  • A–B · 1112 Ų buried · 17 hydrogen bonds · protein-protein
  • C–D · 1055 Ų buried · 16 hydrogen bonds · protein-protein
  • B–F · 745 Ų buried · 11 hydrogen bonds · protein-protein
  • D–E · 710 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 3DCG · Crystal Structure of the HIV Vif BC-box in Complex with Human ElonginB and ElonginC · the same entry in another collection · chain F against F, TM-score 1.00
  • Q15370 · AlphaFold monomer V2.0 prediction for elongin-B (Q15370) · a predicted model of the same protein · chain C against A, TM-score 0.98
  • Q15369 · AlphaFold monomer V2.0 prediction for elongin-C (Q15369) · a predicted model of the same protein · chain B against A, TM-score 0.98

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