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MolNFT v1 · #153205 · protein + RNA

Cryo-EM structure of the yeast B*-B1 complex at an average resolution of 3.86 ångström

6J6N · Pre-mRNA-splicing factor 8: “Cryo-EM structure of the yeast B*-B1 complex at an average resolution of 3.86 ångström”. Electron microscopy, 4 ligands (IHP, GTP, MG), 20 pockets (best druggability 0.88). MolNFT v1 #153205 on…

PDB
6J6N
Type
protein + RNA
Length
9,526 residues
Chains
41
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Pre-mRNA-splicing factor 8; Pre-mRNA-splicing factor SNU114; Pre-mRNA-splicing factor…
EC
2.3.2.27
UniProt
P33334, P36048, Q03375, Q12417, P28004, P38241, Q12046, Q03772, P25337, P53333, Q03654, Q12309, P53277, P40968, P21374, Q04048, P40567, Q08963, Q06091, Q12330, Q02260, P40204, P54999, Q06217, P40018, P43321, P32523
Ligands
IHP, GTP, MG, ZN
Pockets
20 · best druggability 0.88

Structure

electron microscopy · 37 distinct chains · 44% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APre-mRNA-splicing factor 8protein191344% helix, 10% strandP33334
CPre-mRNA-splicing factor SNU114protein92035% helix, 23% strandP36048
JPre-mRNA-splicing factor CWC21protein270% helix, 11% strandQ03375
OPre-mRNA-splicing factor PRP46protein3573% helix, 45% strandQ12417
PPre-mRNA-processing protein 45protein20537% helix, 3% strandP28004
QPre-mRNA-splicing factor SLT11protein29234% helix, 16% strandP38241
RPre-mRNA-splicing factor CWC2protein26131% helix, 13% strandQ12046
SPre-mRNA-splicing factor CWC15protein7024% helix, 0% strandQ03772
TPre-mRNA-splicing factor BUD31protein15751% helix, 0% strandP25337
ZPre-mRNA-splicing factor CWC22protein44768% helix, 0% strandP53333
cPre-mRNA-splicing factor CEF1protein43670% helix, 0% strandQ03654
dPre-mRNA-splicing factor CLF1protein56680% helix, 0% strandQ12309
IPre-mRNA-splicing factor SYF2protein10264% helix, 4% strandP53277
nPre-mRNA-processing factor 17protein2993% helix, 44% strandP40968
HPre-mRNA-splicing factor ISY1protein7162% helix, 0% strandP21374
BUBC4 pre-mRNArna57——
DU5 snrnarna179——
EU6 snrnarna103——
LU2 snrnarna205——
vPre-mRNA-splicing factor SYF1protein72274% helix, 0% strandQ04048
aU2 small nuclear ribonucleoprotein B''protein8426% helix, 24% strandP40567
bU2 small nuclear ribonucleoprotein a'protein16922% helix, 12% strandQ08963
tPre-mRNA-splicing factor SNT309protein15677% helix, 0% strandQ06091
u, iSmall nuclear ribonucleoprotein Eprotein7418% helix, 51% strandQ12330
mSmall nuclear ribonucleoprotein sm D1protein11924% helix, 30% strandQ02260
j, xSmall nuclear ribonucleoprotein Gprotein754% helix, 49% strandP40204
h, wSmall nuclear ribonucleoprotein Fprotein6810% helix, 51% strandP54999
g, eSmall nuclear ribonucleoprotein sm D2protein10122% helix, 46% strandQ06217
kSmall nuclear ribonucleoprotein-associated protein Bprotein1008% helix, 37% strandP40018
sSmall nuclear ribonucleoprotein-associated protein Bprotein938% helix, 38% strandP40018
lSmall nuclear ribonucleoprotein sm D3protein8324% helix, 43% strandP43321
ySmall nuclear ribonucleoprotein sm D3protein8123% helix, 47% strandP43321
zSmall nuclear ribonucleoprotein sm D1protein10820% helix, 34% strandQ02260
rPre-mRNA-processing factor 19 (EC 2.3.2.27)protein12555% helix, 10% strandP32523
pPre-mRNA-processing factor 19 (EC 2.3.2.27)protein12855% helix, 7% strandP32523
qPre-mRNA-processing factor 19 (EC 2.3.2.27)protein12958% helix, 7% strandP32523
oPre-mRNA-processing factor 19 (EC 2.3.2.27)protein12657% helix, 7% strandP32523

Ligands and binding sites

  • IHP · Inositol hexakisphosphate · ligand · chains A
  • GTP · Guanosine-5'-triphosphate · ligand · chains A, C
  • MG · Magnesium ion · metal · 6 copies · chains C, E
  • ZN · Zinc ion · metal · 6 copies · chains Q, R, T

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
18570.880.91105empty
210350.880.8981MG
39240.870.8878empty
48730.860.8894empty
56180.860.9078empty

Interfaces

139 interfaces between chains.

  • A–C · 5268 Ų buried · 50 hydrogen bonds · protein-protein
  • A–D · 3730 Ų buried · 73 hydrogen bonds · protein-nucleic
  • Q–R · 2432 Ų buried · 13 hydrogen bonds · protein-protein
  • A–P · 2381 Ų buried · 17 hydrogen bonds · protein-protein
  • A–Z · 2275 Ų buried · 25 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

  • 6J6N · Cryo-EM structure of the yeast B*-b1 complex at an average resolution of 3.86 angstrom · the same entry in another collection · chain c against c, TM-score 1.00

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