PDBe 4hea

X-ray diffraction
3.3Å resolution

Crystal structure of the entire respiratory complex I from Thermus thermophilus

Released:
Source organism: Thermus thermophilus HB8
Primary publication:
Crystal structure of the entire respiratory complex I.
OpenAccess logo Nature 494 443-8 (2013)
PMID: 23417064

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero 16-mer (preferred)
Entry contents:
16 distinct polypeptide molecules
Macromolecules (16 distinct):
NADH-quinone oxidoreductase subunit 1 Chains: 1, B
Molecule details ›
Chains: 1, B
Length: 438 amino acids
Theoretical weight: 48.69 KDa
Source organism: Thermus thermophilus HB8
UniProt:
  • Canonical: Q56222 (Residues: 1-438; Coverage: 100%)
Gene names: TTHA0089, nqo1
Sequence domains:
Structure domains:
NADH-quinone oxidoreductase subunit 2 Chains: 2, C
Molecule details ›
Chains: 2, C
Length: 181 amino acids
Theoretical weight: 20.31 KDa
Source organism: Thermus thermophilus HB8
UniProt:
  • Canonical: Q56221 (Residues: 1-181; Coverage: 100%)
Gene names: TTHA0088, nqo2
Sequence domains: Thioredoxin-like [2Fe-2S] ferredoxin
Structure domains:
NADH-quinone oxidoreductase subunit 3 Chains: 3, D
NADH-quinone oxidoreductase subunit 4 Chains: 4, E
Molecule details ›
Chains: 4, E
Length: 409 amino acids
Theoretical weight: 46.43 KDa
Source organism: Thermus thermophilus HB8
UniProt:
  • Canonical: Q56220 (Residues: 1-409; Coverage: 100%)
Gene names: TTHA0087, nqo4
Sequence domains: Respiratory-chain NADH dehydrogenase, 49 Kd subunit
Structure domains: Cytochrome-c3 Hydrogenase; chain B
NADH-quinone oxidoreductase subunit 5 Chains: 5, F
Molecule details ›
Chains: 5, F
Length: 207 amino acids
Theoretical weight: 23.89 KDa
Source organism: Thermus thermophilus HB8
UniProt:
  • Canonical: Q56219 (Residues: 1-207; Coverage: 100%)
Gene names: TTHA0086, nqo5
Sequence domains: Respiratory-chain NADH dehydrogenase, 30 Kd subunit
NADH-quinone oxidoreductase subunit 6 Chains: 6, G
Molecule details ›
Chains: 6, G
Length: 181 amino acids
Theoretical weight: 20.26 KDa
Source organism: Thermus thermophilus HB8
UniProt:
  • Canonical: Q56218 (Residues: 1-181; Coverage: 100%)
Gene names: TTHA0085, nqo6
Sequence domains: NADH ubiquinone oxidoreductase, 20 Kd subunit
Structure domains: Rossmann fold
NADH-quinone oxidoreductase subunit 9 Chains: 9, O
Molecule details ›
Chains: 9, O
Length: 182 amino acids
Theoretical weight: 20.11 KDa
Source organism: Thermus thermophilus HB8
UniProt:
  • Canonical: Q56224 (Residues: 1-182; Coverage: 100%)
Gene names: TTHA0092, nqo9
Sequence domains: 4Fe-4S binding domain
Structure domains: Alpha-Beta Plaits
NADH-quinone oxidoreductase subunit 15 Chains: 7, I
Molecule details ›
Chains: 7, I
Length: 129 amino acids
Theoretical weight: 14.81 KDa
Source organism: Thermus thermophilus HB8
UniProt:
  • Canonical: Q5SKZ7 (Residues: 1-129; Coverage: 100%)
Gene names: TTHA0496, nqo15
Sequence domains: NADH-quinone oxidoreductase chain 15
Structure domains: Metal Transport, Frataxin; Chain A
Putative uncharacterized protein TTHA1528 Chains: W, X
Molecule details ›
Chains: W, X
Length: 131 amino acids
Theoretical weight: 14.2 KDa
Source organism: Thermus thermophilus HB8
UniProt:
  • Canonical: Q5SI52 (Residues: 1-131; Coverage: 100%)
Gene name: TTHA1528
Sequence domains: Protein of unknown function (DUF3197)
Structure domains: TTHA1528-like
NADH-quinone oxidoreductase subunit 7 Chains: A, P
Molecule details ›
Chains: A, P
Length: 119 amino acids
Theoretical weight: 13.15 KDa
Source organism: Thermus thermophilus HB8
UniProt:
  • Canonical: Q56217 (Residues: 1-119; Coverage: 100%)
Gene names: TTHA0084, nqo7
Sequence domains: NADH-ubiquinone/plastoquinone oxidoreductase, chain 3
Structure domains: Methane Monooxygenase Hydroxylase; Chain G, domain 1
NADH-quinone oxidoreductase subunit 10 Chains: J, R
Molecule details ›
Chains: J, R
Length: 176 amino acids
Theoretical weight: 18.56 KDa
Source organism: Thermus thermophilus HB8
UniProt:
  • Canonical: Q56225 (Residues: 1-176; Coverage: 100%)
Gene names: TTHA0093, nqo10
Sequence domains: NADH-ubiquinone/plastoquinone oxidoreductase chain 6
Structure domains: Four Helix Bundle (Hemerythrin (Met), subunit A)
NADH-quinone oxidoreductase subunit 11 Chains: K, S
Molecule details ›
Chains: K, S
Length: 95 amino acids
Theoretical weight: 10 KDa
Source organism: Thermus thermophilus HB8
UniProt:
  • Canonical: Q56226 (Residues: 1-95; Coverage: 100%)
Gene names: TTHA0094, nqo11
Sequence domains: NADH-ubiquinone/plastoquinone oxidoreductase chain 4L
NADH-quinone oxidoreductase subunit 12 Chains: L, T
Molecule details ›
Chains: L, T
Length: 606 amino acids
Theoretical weight: 65.19 KDa
Source organism: Thermus thermophilus HB8
UniProt:
  • Canonical: Q56227 (Residues: 1-606; Coverage: 100%)
Gene names: TTHA0095, nqo12
Sequence domains:
NADH-quinone oxidoreductase subunit 13 Chains: M, U
Molecule details ›
Chains: M, U
Length: 469 amino acids
Theoretical weight: 49.25 KDa
Source organism: Thermus thermophilus HB8
UniProt:
  • Canonical: Q56228 (Residues: 1-469; Coverage: 100%)
Gene names: TTHA0096, nqo13
Sequence domains: Proton-conducting membrane transporter
NADH-quinone oxidoreductase subunit 14 Chains: N, V
Molecule details ›
Chains: N, V
Length: 427 amino acids
Theoretical weight: 44.46 KDa
Source organism: Thermus thermophilus HB8
UniProt:
  • Canonical: Q56229 (Residues: 1-427; Coverage: 100%)
Gene names: TTHA0097, nqo14
Sequence domains: Proton-conducting membrane transporter
NADH-quinone oxidoreductase subunit 8 Chains: H, Q
Molecule details ›
Chains: H, Q
Length: 365 amino acids
Theoretical weight: 41.03 KDa
Source organism: Thermus thermophilus HB8
UniProt:
  • Canonical: Q60019 (Residues: 1-365; Coverage: 100%)
Gene names: TTHA0091, nqo8
Sequence domains: NADH dehydrogenase

Ligands and Environments


Cofactor: Ligand FMN 2 x FMN
2 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P21
Unit cell:
a: 96.28Å b: 340.89Å c: 263.3Å
α: 90° β: 100.57° γ: 90°
R-values:
R R work R free
0.203 0.202 0.239