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Cryo-EM structure of a respiratory complex I mutant lacking NDUFS4

Analyse Cryo-EM structure of a respiratory complex I mutant lacking NDUFS4 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6RFS
Type
protein
Length
7,685 residues
Chains
41
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Subunit nuam of NADH:UBIQUINONE oxidoreductase (complex I); Subunit nubm of…
EC
1.6.99.3, 7.1.1.2, 1.6.5.3
UniProt
Q9UUU3, Q9UUU2, Q9UUU1, A0A1D8NC63, A0A371BY45, A0A371C5F3, Q9UUU0, Q9UUT9, Q9UUT8, A0A371CB65, Q9UUT7, Q9B6D4, A0A1H6Q8Z5, A0A1H6PXT9, A0A1D8N3C8, A0A1D8NG21, A0A1D8NDL1, Q6ZY23, A0A371C2D0, A0A1H6PPE5, A0A1D8NKB4, A0A1D8N3H5, A0A1D8ND94, A0A1D8NGI5, A0A371C0F2, A0A1D8N596, A0A1D8NFX6, A0A1H6PJS3, A0A1D8NJR0, A0A1D8N5V2, A0A1H6Q311, Q6ZY24, A0A371CFV9, S5U3V2, S5U4R9, S5TMS4, S5TMP9, S5TF58, Q9B6E9, A0A1H6PKH9, A0A1D8NNZ0
Ligands
SF4, FES, FMN, NDP, ZMP, ZN
Pockets
20 · best druggability 0.89

Structure

electron microscopy · 41 distinct chains · 49% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASubunit nuam of NADH:UBIQUINONE oxidoreductase (complex I) (EC 1.6.99.3)protein69228% helix, 16% strandQ9UUU3
BSubunit nubm of NADH:UBIQUINONE oxidoreductase (complex I) (EC 1.6.99.3, 7.1.1.2)protein45642% helix, 15% strandQ9UUU2
CSubunit nucm of NADH:UBIQUINONE oxidoreductase (complex I) (EC 1.6.99.3)protein38741% helix, 10% strandQ9UUU1
DSubunit nimm of NADH:UBIQUINONE oxidoreductase (complex I)protein8653% helix, 6% strandA0A1D8NC63
ESubunit nuem of NADH:UBIQUINONE oxidoreductase (complex I)protein33135% helix, 14% strandA0A371BY45
FSubunit nufm of NADH:UBIQUINONE oxidoreductase (complex I)protein12155% helix, 3% strandA0A371C5F3
GSubunit nugm of NADH:UBIQUINONE oxidoreductase (complex I) (EC 1.6.99.3)protein23921% helix, 22% strandQ9UUU0
HSubunit nuhm of NADH:UBIQUINONE oxidoreductase (complex I) (EC 1.6.99.3)protein21335% helix, 7% strandQ9UUT9
ISubunit nuim of NADH:UBIQUINONE oxidoreductase (complex I) (EC 1.6.99.3)protein19029% helix, 13% strandQ9UUT8
JSubunit nujm of NADH:UBIQUINONE oxidoreductase (complex I)protein11645% helix, 3% strandA0A371CB65
KSubunit nukm of NADH:UBIQUINONE oxidoreductase (complex I) (EC 1.6.99.3)protein17034% helix, 8% strandQ9UUT7
LSubunit nulm of NADH:UBIQUINONE oxidoreductase (complex I) (EC 7.1.1.2)protein8382% helix, 0% strandQ9B6D4
MSubunit numm of NADH:UBIQUINONE oxidoreductase (complex I)protein11712% helix, 20% strandA0A1H6Q8Z5
OAcyl carrier protein ACPM1 of NADH:UBIQUINONE oxidoreductase (complex I)protein7756% helix, 3% strandA0A1H6PXT9
PSubunit NB4M of protein NADH:UBIQUINONE oxidoreductase (complex I)protein12360% helix, 0% strandA0A1D8N3C8
QAcyl carrier protein ACPM2 of NADH:UBIQUINONE oxidoreductase (complex I)protein8542% helix, 2% strandA0A1D8NG21
RSubunit NI2M of NADH:UBIQUINONE oxidoreductase (complex I)protein10650% helix, 0% strandA0A1D8NDL1
SSubunit nesm of NADH:UBIQUINONE oxidoreductase (complex I) (EC 1.6.99.3)protein17460% helix, 0% strandQ6ZY23
USubunit nupm of NADH:UBIQUINONE oxidoreductase (complex I)protein17154% helix, 2% strandA0A371C2D0
WSubunit NB6M of NADH:UBIQUINONE oxidoreductase (complex I)protein12155% helix, 2% strandA0A1H6PPE5
XSubunit nuxm of NADH:UBIQUINONE oxidoreductase (complex I)protein16749% helix, 0% strandA0A1D8NKB4
ZSubunit nuzm of NADH:UBIQUINONE oxidoreductase (complex I)protein18128% helix, 6% strandA0A1D8N3H5
aSubunit niam of NADH:UBIQUINONE oxidoreductase (complex I)protein12435% helix, 2% strandA0A1D8ND94
bSubunit nebm of NADH:UBIQUINONE oxidoreductase (complex I)protein6481% helix, 0% strandA0A1D8NGI5
cSubunit NB2M of NADH:UBIQUINONE oxidoreductase (complex I)protein4436% helix, 0% strandA0A371C0F2
dSubunit nidm of NADH:UBIQUINONE oxidoreductase (complex I)protein9066% helix, 2% strandA0A1D8N596
eSubunit nuvm of NADH:UBIQUINONE oxidoreductase (complex I)protein5258% helix, 0% strandA0A1D8NFX6
fSubunit NI8M of NADH:UBIQUINONE oxidoreductase (complex I)protein8035% helix, 25% strandA0A1H6PJS3
gSubunit NI9M of NADH:UBIQUINONE oxidoreductase (complex I)protein7651% helix, 0% strandA0A1D8NJR0
hSubunit N7BM of NADH:UBIQUINONE oxidoreductase (complex I)protein13621% helix, 6% strandA0A1D8N5V2
iSubunit nuum of NADH:UBIQUINONE oxidoreductase (complex I)protein8352% helix, 4% strandA0A1H6Q311
jSubunit NB5M of NADH:UBIQUINONE oxidoreductase (complex I) (EC 1.6.99.3)protein9040% helix, 3% strandQ6ZY24
nSubunit nunm of NADH:UBIQUINONE oxidoreductase (complex I)protein11356% helix, 0% strandA0A371CFV9
1Subunit NU1M of NADH:UBIQUINONE oxidoreductase (complex I) (EC 7.1.1.2)protein34061% helix, 0% strandS5U3V2
2Subunit NU2M of NADH:UBIQUINONE oxidoreductase (complex I) (EC 1.6.5.3)protein46968% helix, 2% strandS5U4R9
3Subunit NU3M of NADH:UBIQUINONE oxidoreductase (complex I) (EC 7.1.1.2)protein11660% helix, 2% strandS5TMS4
4Subunit NU4M of NADH:UBIQUINONE oxidoreductase (complex I) (EC 7.1.1.2)protein48670% helix, 2% strandS5TMP9
5Subunit NU5M of NADH:UBIQUINONE oxidoreductase (complex I) (EC 7.1.1.2)protein63271% helix, 2% strandS5TF58
6Subunit NU6M of NADH:UBIQUINONE oxidoreductase (complex I) (EC 7.1.1.2)protein13869% helix, 3% strandQ9B6E9
8Subunit NB8M of NADH:UBIQUINONE oxidoreductase (complex I)protein8070% helix, 0% strandA0A1H6PKH9
9Subunit nipm of NADH:UBIQUINONE oxidoreductase (complex I)protein6665% helix, 0% strandA0A1D8NNZ0

Ligands and binding sites

  • SF4 · Iron/sulfur cluster · ligand · 6 copies · chains A, C, B, I, K
  • FES · Fe2/s2 (inorganic) cluster · ligand · 2 copies · chains A, H
  • FMN · Flavin mononucleotide · ligand · chains B
  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · chains E
  • ZMP · S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy) butanoyl]-beta-alanyl}amino)ethyl] tetradecanethioate · ligand · chains O, P
  • ZN · Zinc ion · metal · chains M

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
111950.890.91148empty
210020.880.90124empty
37790.880.9176NDP
410890.870.88106empty
58220.840.8798empty

Interfaces

174 interfaces between chains.

  • B–H · 3496 Ų buried · 35 hydrogen bonds · protein-protein
  • G–Z · 2885 Ų buried · 33 hydrogen bonds · protein-protein
  • C–G · 2849 Ų buried · 31 hydrogen bonds · protein-protein
  • 1–3 · 2679 Ų buried · 6 hydrogen bonds · protein-protein
  • 4–5 · 2404 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 disulfide, 2 covalent (disulfide, covalent ligand).

Compared structures

  • 6RFS · Cryo-EM structure of a respiratory complex I mutant lacking NDUFS4 · the same entry in another collection · chain K against K, TM-score 1.00

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