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MolNFT v1 · #152035 · protein

Crystal structure of SOCS2:ELONGIN C:ELONGIN B in complex with growth hormone receptor peptide

6I5J · Suppressor of cytokine signaling 2: “Crystal structure of SOCS2:ELONGIN C:ELONGIN B in complex with growth hormone receptor peptide”. X-ray diffraction, 1 ligand (CO), 6 pockets (best druggability 0.57). MolNFT v1 #152035 on…

PDB
6I5J
Type
protein
Length
778 residues
Chains
10
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Suppressor of cytokine signaling 2; Elongin-B; Elongin-C; Growth hormone receptor peptide
UniProt
O14508, Q15370, Q15369
Ligands
CO
Pockets
6 · best druggability 0.57

Structure

x-ray diffraction · 9 distinct chains · 28% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASuppressor of cytokine signaling 2protein16834% helix, 18% strandO14508
BElongin-Bprotein10418% helix, 38% strandQ15370
C, FElongin-Cprotein9742% helix, 15% strandQ15369
DSuppressor of cytokine signaling 2protein16937% helix, 19% strandO14508
EElongin-Bprotein10315% helix, 37% strandQ15370
IGrowth hormone receptor peptideprotein110% helix, 36% strand—
JGrowth hormone receptor peptideprotein100% helix, 20% strand—
KGrowth hormone receptor peptideprotein100% helix, 30% strand—
LGrowth hormone receptor peptideprotein90% helix, 22% strand—

Ligands and binding sites

  • CO · Cobalt (II) ion · metal · 2 copies · chains A, K, D, L

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

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11430.570.8225empty
21840.560.8026empty
31950.460.7425empty
4530.340.7917empty
5610.330.7615empty

Interfaces

15 interfaces between chains.

  • B–C · 1163 Ų buried · 13 hydrogen bonds · protein-protein
  • E–F · 1133 Ų buried · 12 hydrogen bonds · protein-protein
  • D–F · 1044 Ų buried · 9 hydrogen bonds · protein-protein
  • A–C · 1007 Ų buried · 6 hydrogen bonds · protein-protein
  • C–F · 820 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified (artifact, phosphorylation, nonstandard).

Compared structures

  • 6I5J · Crystal structure of SOCS2:Elongin C:Elongin B in complex with growth hormone receptor… · the same entry in another collection · chain L against L, TM-score 1.00
  • Q15370 · AlphaFold monomer V2.0 prediction for elongin-B (Q15370) · a predicted model of the same protein · chain B against A, TM-score 0.98

Analyse

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